2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C24H28FN5O2 — CID 137273746

IUPAC2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC(C)c3cc(F)ccc3N3CCC(O)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H28FN5O2/c1-14-15(2)28-23(29-24(14)32)17-4-7-22(26-13-17)27-16(3)20-12-18(25)5-6-21(20)30-10-8-19(31)9-11-30/h4-7,12-13,16,19,31H,8-11H2,1-3H3,(H,26,27)(H,28,29,32)
InChIKeyCDHMXKSMPXSGJZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.72
Rot. Bonds5

About 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137273746) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137273746
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC(C)c3cc(F)ccc3N3CCC(O)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H28FN5O2/c1-14-15(2)28-23(29-24(14)32)17-4-7-22(26-13-17)27-16(3)20-12-18(25)5-6-21(20)30-10-8-19(31)9-11-30/h4-7,12-13,16,19,31H,8-11H2,1-3H3,(H,26,27)(H,28,29,32)
InChIKeyCDHMXKSMPXSGJZ-UHFFFAOYSA-N
XLogP3.72
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137273746) is 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NC(C)c3cc(F)ccc3N3CCC(O)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is CDHMXKSMPXSGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-14-15(2)28-23(29-24(14)32)17-4-7-22(26-13-17)27-16(3)20-12-18(25)5-6-21(20)30-10-8-19(31)9-11-30/h4-7,12-13,16,19,31H,8-11H2,1-3H3,(H,26,27)(H,28,29,32).
What are the key properties of 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 437.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).