4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane

C23H33N5O2S — CID 144622947

IUPAC4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane
SMILESCO.CSC.Cc1cc(N)cc2ncnc(Nc3cccnc3OC3CCCCC3)c12
InChIInChI=1S/C20H23N5O.C2H6S.CH4O/c1-13-10-14(21)11-17-18(13)19(24-12-23-17)25-16-8-5-9-22-20(16)26-15-6-3-2-4-7-15;1-3-2;1-2/h5,8-12,15H,2-4,6-7,21H2,1H3,(H,23,24,25);1-2H3;2H,1H3
InChIKeyZCLDEKHFVUENOS-UHFFFAOYSA-N
MW443.62 g/mol
LogP4.96
Rot. Bonds4

About 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane

4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane (PubChem CID 144622947) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane.

Molecular Properties

Compound Name4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane
PubChem CID144622947
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Name4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane
SMILESCO.CSC.Cc1cc(N)cc2ncnc(Nc3cccnc3OC3CCCCC3)c12
InChIInChI=1S/C20H23N5O.C2H6S.CH4O/c1-13-10-14(21)11-17-18(13)19(24-12-23-17)25-16-8-5-9-22-20(16)26-15-6-3-2-4-7-15;1-3-2;1-2/h5,8-12,15H,2-4,6-7,21H2,1H3,(H,23,24,25);1-2H3;2H,1H3
InChIKeyZCLDEKHFVUENOS-UHFFFAOYSA-N
XLogP4.96
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane 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-[2-(4,4-difluorocyclohexyl)oxy-3-pyridinyl]-5-methylquinazoline-4,7-diamine;methanethiol
CID 144622867
5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
CID 123801543
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
2-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methylsulfanylmethane
CID 144623003
4-[[3-[[5-methyl-7-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]quinazolin-4-yl]amino]-2-pyridinyl]oxy]cyclohexan-1-ol
CID 123757531
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
CID 90140607
4-[[3-[[7-[(ethyl-methyl-oxo-λ6-sulfanylidene)amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]cyclohexan-1-ol
CID 90140519
4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
4-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622962
tert-butyl (3R)-3-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 90140657
4-N-[4-fluoro-2-(1-methylsulfanylpyrrolidin-3-yl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 144622975
(3S,4R)-4-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]oxolan-3-ol;methane
CID 159132881

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane?
The IUPAC name of 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane (CID 144622947) is 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane.
What is the SMILES notation for 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane?
The canonical SMILES for 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane is CO.CSC.Cc1cc(N)cc2ncnc(Nc3cccnc3OC3CCCCC3)c12.
What is the InChIKey of 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane?
The InChIKey is ZCLDEKHFVUENOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C2H6S.CH4O/c1-13-10-14(21)11-17-18(13)19(24-12-23-17)25-16-8-5-9-22-20(16)26-15-6-3-2-4-7-15;1-3-2;1-2/h5,8-12,15H,2-4,6-7,21H2,1H3,(H,23,24,25);1-2H3;2H,1H3.
What are the key properties of 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane?
4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane has a molecular weight of 443.62 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexyloxy-3-pyridinyl)-5-methylquinazoline-4,7-diamine;methanol;methylsulfanylmethane is sourced from PubChem (CID 144622947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).