4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine

C15H24N6O3 — CID 50904402

IUPAC4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O3/c1-16-15-18-13(17-11-5-3-2-4-6-11)12(21(22)23)14(19-15)20-7-9-24-10-8-20/h11H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyKAXOLGVISQXNMR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.01
Rot. Bonds5

About 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (PubChem CID 50904402) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
PubChem CID50904402
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O3/c1-16-15-18-13(17-11-5-3-2-4-6-11)12(21(22)23)14(19-15)20-7-9-24-10-8-20/h11H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyKAXOLGVISQXNMR-UHFFFAOYSA-N
XLogP2.01
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine (CID 50904402) is 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is CNc1nc(NC2CCCCC2)c([N+](=O)[O-])c(N2CCOCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
The InChIKey is KAXOLGVISQXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-16-15-18-13(17-11-5-3-2-4-6-11)12(21(22)23)14(19-15)20-7-9-24-10-8-20/h11H,2-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 50904402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).