3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C19H19ClN4O2 — CID 165398320

IUPAC3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)ccc(Cl)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-11-10-22-15(14-7-8-21-18(23-14)19(3,4)26)9-16(11)24-12(2)5-6-13(20)17(24)25/h5-10,26H,1-4H3
InChIKeyISOXBNQMHXXSQA-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.19
Rot. Bonds3

About 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 165398320) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID165398320
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)ccc(Cl)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-11-10-22-15(14-7-8-21-18(23-14)19(3,4)26)9-16(11)24-12(2)5-6-13(20)17(24)25/h5-10,26H,1-4H3
InChIKeyISOXBNQMHXXSQA-UHFFFAOYSA-N
XLogP3.19
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 165398320) is 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)ccc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is ISOXBNQMHXXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11-10-22-15(14-7-8-21-18(23-14)19(3,4)26)9-16(11)24-12(2)5-6-13(20)17(24)25/h5-10,26H,1-4H3.
What are the key properties of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 165398320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).