1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

C18H24N6O — CID 95821893

IUPAC1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1
InChIInChI=1S/C18H24N6O/c1-12-8-13(2)22-18(21-12)23-17-10-16(19-11-20-17)9-15-4-6-24(7-5-15)14(3)25/h8,10-11,15H,4-7,9H2,1-3H3,(H,19,20,21,22,23)
InChIKeyWPYMGCPFXACLII-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 95821893) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID95821893
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1
InChIInChI=1S/C18H24N6O/c1-12-8-13(2)22-18(21-12)23-17-10-16(19-11-20-17)9-15-4-6-24(7-5-15)14(3)25/h8,10-11,15H,4-7,9H2,1-3H3,(H,19,20,21,22,23)
InChIKeyWPYMGCPFXACLII-UHFFFAOYSA-N
XLogP2.43
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (CID 95821893) is 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1.
What is the InChIKey of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is WPYMGCPFXACLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-8-13(2)22-18(21-12)23-17-10-16(19-11-20-17)9-15-4-6-24(7-5-15)14(3)25/h8,10-11,15H,4-7,9H2,1-3H3,(H,19,20,21,22,23).
What are the key properties of 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).