[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone

C17H27N5O — CID 72920814

IUPAC[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCNc1cc(C)nc(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-13-12-15(18-2)20-17(19-13)22-10-6-14(7-11-22)16(23)21-8-4-3-5-9-21/h12,14H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyFVCGPLKSWNJXMB-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.06
Rot. Bonds3

About [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 72920814) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID72920814
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCNc1cc(C)nc(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-13-12-15(18-2)20-17(19-13)22-10-6-14(7-11-22)16(23)21-8-4-3-5-9-21/h12,14H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyFVCGPLKSWNJXMB-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552563
[(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552562
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 27477450
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
cyclohexyl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477448
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
CID 97188302
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 96558238
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101

Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 72920814) is [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone is CNc1cc(C)nc(N2CCC(C(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is FVCGPLKSWNJXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-12-15(18-2)20-17(19-13)22-10-6-14(7-11-22)16(23)21-8-4-3-5-9-21/h12,14H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 317.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 72920814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).