4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

C19H28N4O — CID 137262944

IUPAC4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC(C)CCCC(C)C)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H28N4O/c1-12(2)7-6-8-13(3)21-17-10-9-16(11-20-17)18-22-15(5)14(4)19(24)23-18/h9-13H,6-8H2,1-5H3,(H,20,21)(H,22,23,24)
InChIKeyCTKJNZONTHVLMY-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.08
Rot. Bonds7

About 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137262944) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137262944
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC(C)CCCC(C)C)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H28N4O/c1-12(2)7-6-8-13(3)21-17-10-9-16(11-20-17)18-22-15(5)14(4)19(24)23-18/h9-13H,6-8H2,1-5H3,(H,20,21)(H,22,23,24)
InChIKeyCTKJNZONTHVLMY-UHFFFAOYSA-N
XLogP4.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (CID 137262944) is 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NC(C)CCCC(C)C)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is CTKJNZONTHVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12(2)7-6-8-13(3)21-17-10-9-16(11-20-17)18-22-15(5)14(4)19(24)23-18/h9-13H,6-8H2,1-5H3,(H,20,21)(H,22,23,24).
What are the key properties of 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 328.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137262944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).