6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine

C11H20N6 — CID 139313934

IUPAC6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine
SMILESCC1CCCC(N(N)c2ncnc(N)c2N)C1
InChIInChI=1S/C11H20N6/c1-7-3-2-4-8(5-7)17(14)11-9(12)10(13)15-6-16-11/h6-8H,2-5,12,14H2,1H3,(H2,13,15,16)
InChIKeyCQJQNTFWIOVGHF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds2

About 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine

6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine (PubChem CID 139313934) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine
PubChem CID139313934
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine
SMILESCC1CCCC(N(N)c2ncnc(N)c2N)C1
InChIInChI=1S/C11H20N6/c1-7-3-2-4-8(5-7)17(14)11-9(12)10(13)15-6-16-11/h6-8H,2-5,12,14H2,1H3,(H2,13,15,16)
InChIKeyCQJQNTFWIOVGHF-UHFFFAOYSA-N
XLogP0.90
TPSA107.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-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

5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 106811804
6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
CID 142185263
4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782403
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 61444665
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62471042
5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81440147
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
CID 114129528

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine?
The IUPAC name of 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine (CID 139313934) is 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine?
The canonical SMILES for 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine is CC1CCCC(N(N)c2ncnc(N)c2N)C1.
What is the InChIKey of 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine?
The InChIKey is CQJQNTFWIOVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-7-3-2-4-8(5-7)17(14)11-9(12)10(13)15-6-16-11/h6-8H,2-5,12,14H2,1H3,(H2,13,15,16).
What are the key properties of 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine?
6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine is sourced from PubChem (CID 139313934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).