2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol

C13H13N5O2 — CID 133396318

IUPAC2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
SMILESNc1ccc2c(NCC(O)c3ccco3)ncnc2n1
InChIInChI=1S/C13H13N5O2/c14-11-4-3-8-12(16-7-17-13(8)18-11)15-6-9(19)10-2-1-5-20-10/h1-5,7,9,19H,6H2,(H3,14,15,16,17,18)
InChIKeyMIJVEBUGPFMQCB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.35
Rot. Bonds4

About 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol

2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol (PubChem CID 133396318) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
PubChem CID133396318
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
SMILESNc1ccc2c(NCC(O)c3ccco3)ncnc2n1
InChIInChI=1S/C13H13N5O2/c14-11-4-3-8-12(16-7-17-13(8)18-11)15-6-9(19)10-2-1-5-20-10/h1-5,7,9,19H,6H2,(H3,14,15,16,17,18)
InChIKeyMIJVEBUGPFMQCB-UHFFFAOYSA-N
XLogP1.35
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 110889677
N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805430
4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 124514317
4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407341
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol (CID 133396318) is 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol is Nc1ccc2c(NCC(O)c3ccco3)ncnc2n1.
What is the InChIKey of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is MIJVEBUGPFMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-11-4-3-8-12(16-7-17-13(8)18-11)15-6-9(19)10-2-1-5-20-10/h1-5,7,9,19H,6H2,(H3,14,15,16,17,18).
What are the key properties of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol?
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol has a molecular weight of 271.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 133396318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).