2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine

C12H21N5 — CID 142401938

IUPAC2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNENAEMODQHCEHU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds4

About 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 142401938) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID142401938
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNENAEMODQHCEHU-UHFFFAOYSA-N
XLogP1.38
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine 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

2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
6-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 115025325
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
4-N-cyclopentyl-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112909634
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 142401938) is 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine is CCNc1nc(C)cc(NC2CCNCC2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is NENAEMODQHCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-14-12-15-9(2)8-11(17-12)16-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 142401938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).