4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine

C12H19N5O2 — CID 112726456

IUPAC4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-13-11-10(17(18)19)12(15-8-14-11)16(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyCZRGIPFVUGWROH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.20
Rot. Bonds4

About 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine

4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine (PubChem CID 112726456) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
PubChem CID112726456
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-13-11-10(17(18)19)12(15-8-14-11)16(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyCZRGIPFVUGWROH-UHFFFAOYSA-N
XLogP2.20
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-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

4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 112726545
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
3-[cyclobutyl-[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propan-1-ol
CID 102846688
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
6-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine
CID 23479545
4-N,6-N-dimethyl-4-N-(4-methylpentan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 78958767
4-N-cyclopentyl-4-N,6-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 80782217
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489477
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine (CID 112726456) is 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine is CNc1ncnc(N(C)C2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine?
The InChIKey is CZRGIPFVUGWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11-10(17(18)19)12(15-8-14-11)16(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine?
4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 112726456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).