1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide

C15H25N5O — CID 154838840

IUPAC1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)c1cc(N2CCC(C(N)=O)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H25N5O/c1-10(2)12-9-13(18-15(17-12)19(3)4)20-7-5-11(6-8-20)14(16)21/h9-11H,5-8H2,1-4H3,(H2,16,21)
InChIKeyOVOACTXSCAGWIT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide

1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 154838840) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID154838840
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)c1cc(N2CCC(C(N)=O)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H25N5O/c1-10(2)12-9-13(18-15(17-12)19(3)4)20-7-5-11(6-8-20)14(16)21/h9-11H,5-8H2,1-4H3,(H2,16,21)
InChIKeyOVOACTXSCAGWIT-UHFFFAOYSA-N
XLogP1.37
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
4-(3-Methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 71551636
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide (CID 154838840) is 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide is CC(C)c1cc(N2CCC(C(N)=O)CC2)nc(N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is OVOACTXSCAGWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-10(2)12-9-13(18-15(17-12)19(3)4)20-7-5-11(6-8-20)14(16)21/h9-11H,5-8H2,1-4H3,(H2,16,21).
What are the key properties of 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 154838840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).