N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

C19H20FN5 — CID 92567499

IUPACN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24)
InChIKeyFMLYURNVSNMTHW-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (PubChem CID 92567499) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
PubChem CID92567499
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC NameN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24)
InChIKeyFMLYURNVSNMTHW-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
CID 92580271
2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 175705974
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
CID 92567481
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545
N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299146
N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846651
5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567578
4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-5-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 46951018
cis-(1S,3R)-3-[[5-chloro-4-(4-fluorophenyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172590648
5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 170925547
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
CID 110240343

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (CID 92567499) is N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is Cn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The InChIKey is FMLYURNVSNMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine has a molecular weight of 337.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 92567499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).