2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C16H18F2N4O — CID 167837262

IUPAC2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC3CCC(F)(F)C3)nc2)n1
InChIInChI=1S/C16H18F2N4O/c1-2-11-7-14(23)22-15(21-11)10-3-4-13(19-9-10)20-12-5-6-16(17,18)8-12/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyDLDLBWPKGMHBBG-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.99
Rot. Bonds4

About 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 167837262) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID167837262
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC3CCC(F)(F)C3)nc2)n1
InChIInChI=1S/C16H18F2N4O/c1-2-11-7-14(23)22-15(21-11)10-3-4-13(19-9-10)20-12-5-6-16(17,18)8-12/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyDLDLBWPKGMHBBG-UHFFFAOYSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 167837262) is 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC3CCC(F)(F)C3)nc2)n1.
What is the InChIKey of 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is DLDLBWPKGMHBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-2-11-7-14(23)22-15(21-11)10-3-4-13(19-9-10)20-12-5-6-16(17,18)8-12/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 320.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167837262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).