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

C21H30N4O — CID 137264948

IUPAC4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(CCC(C)C)CC3)nc2)n1
InChIInChI=1S/C21H30N4O/c1-4-18-13-20(26)24-21(23-18)17-7-8-19(22-14-17)25-11-9-16(10-12-25)6-5-15(2)3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,23,24,26)
InChIKeyDLMTUVOKAWNYDX-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.05
Rot. Bonds6

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

4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137264948) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137264948
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(CCC(C)C)CC3)nc2)n1
InChIInChI=1S/C21H30N4O/c1-4-18-13-20(26)24-21(23-18)17-7-8-19(22-14-17)25-11-9-16(10-12-25)6-5-15(2)3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,23,24,26)
InChIKeyDLMTUVOKAWNYDX-UHFFFAOYSA-N
XLogP4.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137264948) is 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCC(CCC(C)C)CC3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is DLMTUVOKAWNYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-18-13-20(26)24-21(23-18)17-7-8-19(22-14-17)25-11-9-16(10-12-25)6-5-15(2)3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,23,24,26).
What are the key properties of 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 354.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).