2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol

C15H13N5O — CID 145149430

IUPAC2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol
SMILESNc1nc(/N=C(\CO)c2ccccc2)c2ncccc2n1
InChIInChI=1S/C15H13N5O/c16-15-19-11-7-4-8-17-13(11)14(20-15)18-12(9-21)10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,16,19,20)/b18-12+
InChIKeyGTXNLWKRTXFFIB-LDADJPATSA-N
MW279.30 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol

2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol (PubChem CID 145149430) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol.

Molecular Properties

Compound Name2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol
PubChem CID145149430
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol
SMILESNc1nc(/N=C(\CO)c2ccccc2)c2ncccc2n1
InChIInChI=1S/C15H13N5O/c16-15-19-11-7-4-8-17-13(11)14(20-15)18-12(9-21)10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,16,19,20)/b18-12+
InChIKeyGTXNLWKRTXFFIB-LDADJPATSA-N
XLogP1.72
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)iminomethyl]heptan-2-ol
CID 159876464
(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine
CID 22952354
2-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 142156333
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
CID 122585192
2-(2-aminoquinazolin-4-yl)oxyethanol
CID 80859584
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 122585253
phenylphosphane;1,3,5-triazine-2,4,6-triamine
CID 159739917

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol?
The IUPAC name of 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol (CID 145149430) is 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol.
What is the SMILES notation for 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol?
The canonical SMILES for 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol is Nc1nc(/N=C(\CO)c2ccccc2)c2ncccc2n1.
What is the InChIKey of 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol?
The InChIKey is GTXNLWKRTXFFIB-LDADJPATSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15-19-11-7-4-8-17-13(11)14(20-15)18-12(9-21)10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,16,19,20)/b18-12+.
What are the key properties of 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol?
2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol has a molecular weight of 279.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol is sourced from PubChem (CID 145149430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).