4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

C17H24N4O — CID 137275142

IUPAC4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)CCC(C)C)nc2)[nH]c(=O)c1C
InChIInChI=1S/C17H24N4O/c1-11(2)8-9-21(5)15-7-6-14(10-18-15)16-19-13(4)12(3)17(22)20-16/h6-7,10-11H,8-9H2,1-5H3,(H,19,20,22)
InChIKeyDDPQICSRKZQUOW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.93
Rot. Bonds5

About 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137275142) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137275142
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)CCC(C)C)nc2)[nH]c(=O)c1C
InChIInChI=1S/C17H24N4O/c1-11(2)8-9-21(5)15-7-6-14(10-18-15)16-19-13(4)12(3)17(22)20-16/h6-7,10-11H,8-9H2,1-5H3,(H,19,20,22)
InChIKeyDDPQICSRKZQUOW-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137275142) is 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N(C)CCC(C)C)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is DDPQICSRKZQUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)8-9-21(5)15-7-6-14(10-18-15)16-19-13(4)12(3)17(22)20-16/h6-7,10-11H,8-9H2,1-5H3,(H,19,20,22).
What are the key properties of 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 300.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).