[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

C18H24N6O2 — CID 97485514

IUPAC[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NC3CCCC3)n2)n1
InChIInChI=1S/C18H24N6O2/c1-23-9-7-14(22-23)18(25)24-10-11-26-12-15(24)17-19-8-6-16(21-17)20-13-4-2-3-5-13/h6-9,13,15H,2-5,10-12H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyNSDUZSHDLLTOGJ-HNNXBMFYSA-N
MW356.43 g/mol
LogP1.78
Rot. Bonds4

About [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97485514) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97485514
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NC3CCCC3)n2)n1
InChIInChI=1S/C18H24N6O2/c1-23-9-7-14(22-23)18(25)24-10-11-26-12-15(24)17-19-8-6-16(21-17)20-13-4-2-3-5-13/h6-9,13,15H,2-5,10-12H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyNSDUZSHDLLTOGJ-HNNXBMFYSA-N
XLogP1.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile
CID 131687139
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 97486462
(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131656933
N-cyclobutyl-2-[4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 171695745
[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030
N-cyclopentyl-2-[4-(oxan-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846866
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 131643119

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 97485514) is [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NC3CCCC3)n2)n1.
What is the InChIKey of [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is NSDUZSHDLLTOGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-9-7-14(22-23)18(25)24-10-11-26-12-15(24)17-19-8-6-16(21-17)20-13-4-2-3-5-13/h6-9,13,15H,2-5,10-12H2,1H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).