4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine

C14H24N6O3 — CID 3278590

IUPAC4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
SMILESCOCCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1
InChIInChI=1S/C14H24N6O3/c1-23-9-5-8-16-14-18-12(15)11(20(21)22)13(19-14)17-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyAEYPQFYJZZSTFX-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.16
Rot. Bonds8

About 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine

4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine (PubChem CID 3278590) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
PubChem CID3278590
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Name4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
SMILESCOCCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1
InChIInChI=1S/C14H24N6O3/c1-23-9-5-8-16-14-18-12(15)11(20(21)22)13(19-14)17-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyAEYPQFYJZZSTFX-UHFFFAOYSA-N
XLogP2.16
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine 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 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine (CID 3278590) is 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine is COCCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine?
The InChIKey is AEYPQFYJZZSTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-23-9-5-8-16-14-18-12(15)11(20(21)22)13(19-14)17-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine?
4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine has a molecular weight of 324.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine is sourced from PubChem (CID 3278590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).