1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol

C17H20N6O — CID 16910874

IUPAC1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
SMILESCc1ccc(Nc2nc(NCC(C)O)nc3nccnc23)cc1C
InChIInChI=1S/C17H20N6O/c1-10-4-5-13(8-11(10)2)21-16-14-15(19-7-6-18-14)22-17(23-16)20-9-12(3)24/h4-8,12,24H,9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyYPIZVGLZOLSUHJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.57
Rot. Bonds5

About 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol

1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol (PubChem CID 16910874) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
PubChem CID16910874
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
SMILESCc1ccc(Nc2nc(NCC(C)O)nc3nccnc23)cc1C
InChIInChI=1S/C17H20N6O/c1-10-4-5-13(8-11(10)2)21-16-14-15(19-7-6-18-14)22-17(23-16)20-9-12(3)24/h4-8,12,24H,9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyYPIZVGLZOLSUHJ-UHFFFAOYSA-N
XLogP2.57
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
1-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16911072
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
CID 16911130
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol
CID 57472258
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626
4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
CID 16910879
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol (CID 16910874) is 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol is Cc1ccc(Nc2nc(NCC(C)O)nc3nccnc23)cc1C.
What is the InChIKey of 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol?
The InChIKey is YPIZVGLZOLSUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-4-5-13(8-11(10)2)21-16-14-15(19-7-6-18-14)22-17(23-16)20-9-12(3)24/h4-8,12,24H,9H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol?
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol has a molecular weight of 324.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 16910874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).