4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine

C20H27FN6O — CID 72872452

IUPAC4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1N1CCOCC1
InChIInChI=1S/C20H27FN6O/c21-17-13-23-20(24-19(17)25-9-11-28-12-10-25)26-6-3-16(4-7-26)18-22-5-8-27(18)14-15-1-2-15/h5,8,13,15-16H,1-4,6-7,9-12,14H2
InChIKeyXFVHIBBZRWNBRT-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.44
Rot. Bonds5

About 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine

4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 72872452) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
PubChem CID72872452
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1N1CCOCC1
InChIInChI=1S/C20H27FN6O/c21-17-13-23-20(24-19(17)25-9-11-28-12-10-25)26-6-3-16(4-7-26)18-22-5-8-27(18)14-15-1-2-15/h5,8,13,15-16H,1-4,6-7,9-12,14H2
InChIKeyXFVHIBBZRWNBRT-UHFFFAOYSA-N
XLogP2.44
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine with MolForge

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Related Compounds

2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
N-(1-Cyclopropyl-1H-imidazol-4-yl)-N'-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 67300267
4-[[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
CID 139358612
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 154163449
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 154210786
5-fluoro-2-[4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 50958561
5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50981240
4-({5-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70732839
4-{5-fluoro-2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72840504
(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 72860639
2-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-5-fluoro-N,N-dimethyl-4-pyrimidinamine
CID 72862478
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (CID 72872452) is 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is Fc1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1N1CCOCC1.
What is the InChIKey of 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is XFVHIBBZRWNBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c21-17-13-23-20(24-19(17)25-9-11-28-12-10-25)26-6-3-16(4-7-26)18-22-5-8-27(18)14-15-1-2-15/h5,8,13,15-16H,1-4,6-7,9-12,14H2.
What are the key properties of 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 386.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 72872452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).