2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C19H26N4O — CID 137275494

IUPAC2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C)(C)CC3)nc2)n1
InChIInChI=1S/C19H26N4O/c1-4-15-12-17(24)22-18(21-15)14-6-7-16(20-13-14)23-10-5-8-19(2,3)9-11-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,22,24)
InChIKeyVMKSINTYTLCRSD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.41
Rot. Bonds3

About 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137275494) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137275494
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C)(C)CC3)nc2)n1
InChIInChI=1S/C19H26N4O/c1-4-15-12-17(24)22-18(21-15)14-6-7-16(20-13-14)23-10-5-8-19(2,3)9-11-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,22,24)
InChIKeyVMKSINTYTLCRSD-UHFFFAOYSA-N
XLogP3.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137275494) is 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCCC(C)(C)CC3)nc2)n1.
What is the InChIKey of 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is VMKSINTYTLCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-15-12-17(24)22-18(21-15)14-6-7-16(20-13-14)23-10-5-8-19(2,3)9-11-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 326.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137275494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).