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

C13H20N4O — CID 95830306

IUPAC1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1cc(CC2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-10(18)17-5-3-11(4-6-17)7-12-8-13(14-2)16-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyABPJCQGQGSQHFD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds3

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

1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 95830306) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID95830306
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1cc(CC2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-10(18)17-5-3-11(4-6-17)7-12-8-13(14-2)16-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyABPJCQGQGSQHFD-UHFFFAOYSA-N
XLogP1.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone 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

1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
CID 110090206
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 110269085
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
1-[3-[(6-chloropyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 167995722
4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
CID 155983206
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 125000717
3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 95822158
tert-butyl 4-[[6-(cyclopropylmethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 126849561
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 95822478
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (CID 95830306) is 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is CNc1cc(CC2CCN(C(C)=O)CC2)ncn1.
What is the InChIKey of 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is ABPJCQGQGSQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)17-5-3-11(4-6-17)7-12-8-13(14-2)16-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95830306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).