1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide

C16H27N5O — CID 110100201

IUPAC1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)19-15(22)16(3)7-6-8-21(10-16)14-9-13(20(4)5)17-11-18-14/h9,11-12H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyAZWPDMJURXWCNT-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.67
Rot. Bonds4

About 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide

1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 110100201) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID110100201
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)19-15(22)16(3)7-6-8-21(10-16)14-9-13(20(4)5)17-11-18-14/h9,11-12H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyAZWPDMJURXWCNT-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 124990602
N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 110111092
(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 124989326
(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 125007387
N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 110100195
2-[4-[[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129454102
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 144865603
N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124943360
3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 110100192
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide (CID 110100201) is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1(C)CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is AZWPDMJURXWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(2)19-15(22)16(3)7-6-8-21(10-16)14-9-13(20(4)5)17-11-18-14/h9,11-12H,6-8,10H2,1-5H3,(H,19,22).
What are the key properties of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide?
1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110100201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).