1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

C11H17N5O — CID 80754186

IUPAC1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1nccc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-13-11-14-5-2-9(15-11)16-6-3-8(4-7-16)10(12)17/h2,5,8H,3-4,6-7H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyPBFMLXVVMTYYFQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.22
Rot. Bonds3

About 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80754186) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80754186
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1nccc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-13-11-14-5-2-9(15-11)16-6-3-8(4-7-16)10(12)17/h2,5,8H,3-4,6-7H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyPBFMLXVVMTYYFQ-UHFFFAOYSA-N
XLogP0.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887
tert-butyl 4-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178932
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
2-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80904290
1-(2-hydrazinyl-6-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 80917080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 80754186) is 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CNc1nccc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is PBFMLXVVMTYYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-13-11-14-5-2-9(15-11)16-6-3-8(4-7-16)10(12)17/h2,5,8H,3-4,6-7H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80754186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).