2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol

C15H14BrN5O — CID 5328350

IUPAC2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)
InChIKeyBSMQFXOOMVGQQY-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.94
Rot. Bonds5

About 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 5328350) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID5328350
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)
InChIKeyBSMQFXOOMVGQQY-UHFFFAOYSA-N
XLogP2.94
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Related Compounds

Pd 158780
CID 4707
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 5g
CID 5328340
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
4-[(3-Bromophenyl)amino]-6-[(2,3-dihydroxypropyl)-amino]pyrido[3,4-d]pyrimidine
CID 5328352
4-[(3-Bromophenyl)amino]-6-[N-(2,3-dihydroxypropyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328353
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-enamide
CID 5329069

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol (CID 5328350) is 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol is OCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1.
What is the InChIKey of 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is BSMQFXOOMVGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21).
What are the key properties of 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 360.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 5328350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).