[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

C15H21ClN4O — CID 133367003

IUPAC[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCc1nc(Cl)cc(NC2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C15H21ClN4O/c1-10-17-13(16)8-14(18-10)19-12-6-7-20(9-12)15(21)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMPODPHQFICRBRG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.64
Rot. Bonds3

About [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 133367003) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID133367003
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCc1nc(Cl)cc(NC2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C15H21ClN4O/c1-10-17-13(16)8-14(18-10)19-12-6-7-20(9-12)15(21)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMPODPHQFICRBRG-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593
3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133366780
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133472550
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366907
cyclopentyl-[3-(2,6-dichloro-4-nitroanilino)pyrrolidin-1-yl]methanone
CID 133492676
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (CID 133367003) is [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is Cc1nc(Cl)cc(NC2CCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is MPODPHQFICRBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10-17-13(16)8-14(18-10)19-12-6-7-20(9-12)15(21)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 308.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 133367003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).