2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one

C18H21F2N3O — CID 135402833

IUPAC2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
InChIInChI=1S/C18H21F2N3O/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(24)23-18(22-16)21-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,21,22,23,24)
InChIKeySNZLKNMCCWNHEG-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.86
Rot. Bonds4

About 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one

2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135402833) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135402833
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
InChIInChI=1S/C18H21F2N3O/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(24)23-18(22-16)21-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,21,22,23,24)
InChIKeySNZLKNMCCWNHEG-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 156619932
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-[isopropyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135846095
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135846115
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846117
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one (CID 135402833) is 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one is Cc1c(C(C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SNZLKNMCCWNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(24)23-18(22-16)21-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 333.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).