1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide

C15H25N5O — CID 80975607

IUPAC1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNc1nc(C(C)C)nc(N2CCCC(C(N)=O)C2)c1C
InChIInChI=1S/C15H25N5O/c1-9(2)13-18-14(17-4)10(3)15(19-13)20-7-5-6-11(8-20)12(16)21/h9,11H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19)
InChIKeyRSNPBETYKGQIGW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.65
Rot. Bonds4

About 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide

1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 80975607) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID80975607
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNc1nc(C(C)C)nc(N2CCCC(C(N)=O)C2)c1C
InChIInChI=1S/C15H25N5O/c1-9(2)13-18-14(17-4)10(3)15(19-13)20-7-5-6-11(8-20)12(16)21/h9,11H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19)
InChIKeyRSNPBETYKGQIGW-UHFFFAOYSA-N
XLogP1.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 106590209
1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80994949
6-(2,6-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80981350
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961764
4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide
CID 58937972
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198717
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
1-(5-hydroxy-6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl)piperidine-3-carboxamide
CID 91549856
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80993142

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide (CID 80975607) is 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide is CNc1nc(C(C)C)nc(N2CCCC(C(N)=O)C2)c1C.
What is the InChIKey of 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RSNPBETYKGQIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-9(2)13-18-14(17-4)10(3)15(19-13)20-7-5-6-11(8-20)12(16)21/h9,11H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide?
1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 80975607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).