[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

C15H14ClN5O2 — CID 87576646

IUPAC[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESNc1nc(Cl)c2c(n1)N(Cc1cnc3ccoc3c1)CC2CO
InChIInChI=1S/C15H14ClN5O2/c16-13-12-9(7-22)6-21(14(12)20-15(17)19-13)5-8-3-11-10(18-4-8)1-2-23-11/h1-4,9,22H,5-7H2,(H2,17,19,20)
InChIKeyWMUOPYGNMWDHEY-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.95
Rot. Bonds3

About [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 87576646) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID87576646
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESNc1nc(Cl)c2c(n1)N(Cc1cnc3ccoc3c1)CC2CO
InChIInChI=1S/C15H14ClN5O2/c16-13-12-9(7-22)6-21(14(12)20-15(17)19-13)5-8-3-11-10(18-4-8)1-2-23-11/h1-4,9,22H,5-7H2,(H2,17,19,20)
InChIKeyWMUOPYGNMWDHEY-UHFFFAOYSA-N
XLogP1.95
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 87576646) is [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol is Nc1nc(Cl)c2c(n1)N(Cc1cnc3ccoc3c1)CC2CO.
What is the InChIKey of [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is WMUOPYGNMWDHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c16-13-12-9(7-22)6-21(14(12)20-15(17)19-13)5-8-3-11-10(18-4-8)1-2-23-11/h1-4,9,22H,5-7H2,(H2,17,19,20).
What are the key properties of [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 331.76 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 87576646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).