1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one

C14H22N4O — CID 115265287

IUPAC1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
SMILESCC(C)CN(C)c1cc(N2CCCC(=O)C2)ncn1
InChIInChI=1S/C14H22N4O/c1-11(2)8-17(3)13-7-14(16-10-15-13)18-6-4-5-12(19)9-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyCPENTCPXZOVQGG-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.74
Rot. Bonds4

About 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one

1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one (PubChem CID 115265287) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
PubChem CID115265287
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
SMILESCC(C)CN(C)c1cc(N2CCCC(=O)C2)ncn1
InChIInChI=1S/C14H22N4O/c1-11(2)8-17(3)13-7-14(16-10-15-13)18-6-4-5-12(19)9-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyCPENTCPXZOVQGG-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one?
The IUPAC name of 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one (CID 115265287) is 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one.
What is the SMILES notation for 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one?
The canonical SMILES for 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one is CC(C)CN(C)c1cc(N2CCCC(=O)C2)ncn1.
What is the InChIKey of 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one?
The InChIKey is CPENTCPXZOVQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)8-17(3)13-7-14(16-10-15-13)18-6-4-5-12(19)9-18/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one?
1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one has a molecular weight of 262.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one is sourced from PubChem (CID 115265287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).