3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C15H19ClN4O — CID 133345509

IUPAC3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCc1nc(Cl)c(C)c(NCc2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C15H19ClN4O/c1-5-12-19-13(16)10(4)14(20-12)17-7-11-8(2)6-9(3)18-15(11)21/h6H,5,7H2,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyDMLMWZRFEHROGH-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.92
Rot. Bonds4

About 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 133345509) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID133345509
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCc1nc(Cl)c(C)c(NCc2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C15H19ClN4O/c1-5-12-19-13(16)10(4)14(20-12)17-7-11-8(2)6-9(3)18-15(11)21/h6H,5,7H2,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyDMLMWZRFEHROGH-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 133345509) is 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is CCc1nc(Cl)c(C)c(NCc2c(C)cc(C)[nH]c2=O)n1.
What is the InChIKey of 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DMLMWZRFEHROGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-5-12-19-13(16)10(4)14(20-12)17-7-11-8(2)6-9(3)18-15(11)21/h6H,5,7H2,1-4H3,(H,18,21)(H,17,19,20).
What are the key properties of 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 306.80 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 133345509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).