N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine

C50H54F3N13O2 — CID 118976002

IUPACN-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3ccc(N(C)CCF)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)CCF)nc3n2)c1.FCCN1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C18H20FN5.2C16H17FN4O/c19-7-9-22-10-12-23(13-11-22)17-6-8-24-14-16(20-18(24)21-17)15-4-2-1-3-5-15;1-20(10-8-17)15-7-9-21-11-14(18-16(21)19-15)12-3-5-13(22-2)6-4-12;1-20(9-7-17)15-6-8-21-11-14(18-16(21)19-15)12-4-3-5-13(10-12)22-2/h1-6,8,14H,7,9-13H2;3-7,9,11H,8,10H2,1-2H3;3-6,8,10-11H,7,9H2,1-2H3
InChIKeyJHMSLHPGVIKCLG-UHFFFAOYSA-N
MW926.06 g/mol
LogP8.11
Rot. Bonds14

About N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine

N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 118976002) has the molecular formula C50H54F3N13O2 and a molecular weight of 926.06 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID118976002
Molecular FormulaC50H54F3N13O2
Molecular Weight926.06 g/mol
Exact Mass925.45
IUPAC NameN-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3ccc(N(C)CCF)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)CCF)nc3n2)c1.FCCN1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C18H20FN5.2C16H17FN4O/c19-7-9-22-10-12-23(13-11-22)17-6-8-24-14-16(20-18(24)21-17)15-4-2-1-3-5-15;1-20(10-8-17)15-7-9-21-11-14(18-16(21)19-15)12-3-5-13(22-2)6-4-12;1-20(9-7-17)15-6-8-21-11-14(18-16(21)19-15)12-4-3-5-13(10-12)22-2/h1-6,8,14H,7,9-13H2;3-7,9,11H,8,10H2,1-2H3;3-6,8,10-11H,7,9H2,1-2H3
InChIKeyJHMSLHPGVIKCLG-UHFFFAOYSA-N
XLogP8.11
TPSA121.99 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.06
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10139996
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
US11420968, Example F42
CID 156069920
4-[(1E)-{2-[7-(3-methoxyphenyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91895670
6-(3,4-dimethoxyphenyl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-4-amine
CID 44419524
5-[5-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 52917607
3-[3-[4-(4-Methoxyphenyl)pyrimidin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
CID 118707954
5-[4-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137633055
6-Methyl-5-[2-methyl-4-[(4-piperidin-1-yl-2-pyridinyl)oxy]phenyl]imidazo[1,2-a]pyrazine
CID 146025719
6-(3-Ethoxyphenyl)-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 155557687
2-[4-[4-[4-[2-(4-Methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
CID 162662367

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine (CID 118976002) is N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine is COc1ccc(-c2cn3ccc(N(C)CCF)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)CCF)nc3n2)c1.FCCN1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1.
What is the InChIKey of N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is JHMSLHPGVIKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5.2C16H17FN4O/c19-7-9-22-10-12-23(13-11-22)17-6-8-24-14-16(20-18(24)21-17)15-4-2-1-3-5-15;1-20(10-8-17)15-7-9-21-11-14(18-16(21)19-15)12-3-5-13(22-2)6-4-12;1-20(9-7-17)15-6-8-21-11-14(18-16(21)19-15)12-4-3-5-13(10-12)22-2/h1-6,8,14H,7,9-13H2;3-7,9,11H,8,10H2,1-2H3;3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 926.06 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(3-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;N-(2-fluoroethyl)-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine;7-[4-(2-fluoroethyl)piperazin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118976002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).