2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol

C16H17N5O — CID 90017192

IUPAC2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol
SMILESCN(CCO)c1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C16H17N5O/c1-21(7-8-22)12-4-2-3-11(9-12)13-5-6-14-15(20-13)16(17)19-10-18-14/h2-6,9-10,22H,7-8H2,1H3,(H2,17,18,19)
InChIKeyGFXGIUKSFMQTNM-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.70
Rot. Bonds4

About 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol

2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol (PubChem CID 90017192) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol
PubChem CID90017192
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol
SMILESCN(CCO)c1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C16H17N5O/c1-21(7-8-22)12-4-2-3-11(9-12)13-5-6-14-15(20-13)16(17)19-10-18-14/h2-6,9-10,22H,7-8H2,1H3,(H2,17,18,19)
InChIKeyGFXGIUKSFMQTNM-UHFFFAOYSA-N
XLogP1.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol 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

(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
2-Propanol, 1-(methyl(3-phenylpyridazino(4,3-c)isoquinolin-6-yl)amino)-
CID 13526626
4-[(3-Bromophenyl)amino]-6-[[2-[N,N-bis(2-hydroxyethyl)amino]ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328363
4-[(3-Bromophenyl)amino]-6-[[3-[N,N-bis(2-hydroxyethyl)amino]propyl]amino]pyrido[3,4-d]pyrimidine
CID 5328364
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol?
The IUPAC name of 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol (CID 90017192) is 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol.
What is the SMILES notation for 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol?
The canonical SMILES for 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol is CN(CCO)c1cccc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol?
The InChIKey is GFXGIUKSFMQTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-21(7-8-22)12-4-2-3-11(9-12)13-5-6-14-15(20-13)16(17)19-10-18-14/h2-6,9-10,22H,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol?
2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol has a molecular weight of 295.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol is sourced from PubChem (CID 90017192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).