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

C16H17F2N3O — CID 135402830

IUPAC2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]1
InChIInChI=1S/C16H17F2N3O/c17-13-6-3-7-14(18)12(13)8-11-9-15(22)21-16(20-11)19-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H2,19,20,21,22)
InChIKeyKBEMBRRTXOGSLG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.99
Rot. Bonds4

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

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135402830) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135402830
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]1
InChIInChI=1S/C16H17F2N3O/c17-13-6-3-7-14(18)12(13)8-11-9-15(22)21-16(20-11)19-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H2,19,20,21,22)
InChIKeyKBEMBRRTXOGSLG-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
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
4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135410318

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one (CID 135402830) is 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one is O=c1cc(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]1.
What is the InChIKey of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is KBEMBRRTXOGSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-13-6-3-7-14(18)12(13)8-11-9-15(22)21-16(20-11)19-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H2,19,20,21,22).
What are the key properties of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one?
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 305.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135402830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).