6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine

C19H25N5O2 — CID 5329593

IUPAC6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine
SMILESNc1nc(N)c(/C=N/OCc2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C19H25N5O2/c20-17-16(11-22-26-13-15-9-5-2-6-10-15)18(24-19(21)23-17)25-12-14-7-3-1-4-8-14/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H4,20,21,23,24)/b22-11+
InChIKeyCLJDKGFCOTWSGY-SSDVNMTOSA-N
MW355.44 g/mol
LogP3.15
Rot. Bonds7

About 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine

6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine (PubChem CID 5329593) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine
PubChem CID5329593
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine
SMILESNc1nc(N)c(/C=N/OCc2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C19H25N5O2/c20-17-16(11-22-26-13-15-9-5-2-6-10-15)18(24-19(21)23-17)25-12-14-7-3-1-4-8-14/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H4,20,21,23,24)/b22-11+
InChIKeyCLJDKGFCOTWSGY-SSDVNMTOSA-N
XLogP3.15
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine (CID 5329593) is 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine is Nc1nc(N)c(/C=N/OCc2ccccc2)c(OCC2CCCCC2)n1.
What is the InChIKey of 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine?
The InChIKey is CLJDKGFCOTWSGY-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-17-16(11-22-26-13-15-9-5-2-6-10-15)18(24-19(21)23-17)25-12-14-7-3-1-4-8-14/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H4,20,21,23,24)/b22-11+.
What are the key properties of 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine?
6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine has a molecular weight of 355.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 5329593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).