6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

C23H28N6O2 — CID 19143987

IUPAC6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H28N6O2/c24-21-22(25-11-4-12-29-13-15-30-16-14-29)26-17-27-23(21)28-18-7-9-20(10-8-18)31-19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16,24H2,(H2,25,26,27,28)
InChIKeyHSHMPVBWTJVBEN-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.73
Rot. Bonds9

About 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19143987) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19143987
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H28N6O2/c24-21-22(25-11-4-12-29-13-15-30-16-14-29)26-17-27-23(21)28-18-7-9-20(10-8-18)31-19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16,24H2,(H2,25,26,27,28)
InChIKeyHSHMPVBWTJVBEN-UHFFFAOYSA-N
XLogP3.73
TPSA97.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19136362
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
6-(2-methylquinolin-8-yl)oxy-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5-diamine
CID 19141900

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine (CID 19143987) is 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine is Nc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HSHMPVBWTJVBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-21-22(25-11-4-12-29-13-15-30-16-14-29)26-17-27-23(21)28-18-7-9-20(10-8-18)31-19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16,24H2,(H2,25,26,27,28).
What are the key properties of 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 420.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).