5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C13H21N5O — CID 80983892

IUPAC5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1nc(N)c(C)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H21N5O/c1-4-10-16-12(14)8(2)13(17-10)15-9-5-6-11(19)18(3)7-9/h9H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyYDVHAEIJBISWGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds3

About 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 80983892) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID80983892
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1nc(N)c(C)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H21N5O/c1-4-10-16-12(14)8(2)13(17-10)15-9-5-6-11(19)18(3)7-9/h9H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyYDVHAEIJBISWGU-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one 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

5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80978849
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 114043853
4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 107855462
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
4-N-(1,1-dioxothian-4-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80994169
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
CID 115641119
5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
CID 66275820
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80915090
6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 64667199
(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 80983892) is 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CCc1nc(N)c(C)c(NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is YDVHAEIJBISWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-10-16-12(14)8(2)13(17-10)15-9-5-6-11(19)18(3)7-9/h9H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80983892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).