(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol

C8H9N5O — CID 13345225

IUPAC(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol
SMILESNc1nc(N)c2nc(CO)ccc2n1
InChIInChI=1S/C8H9N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-2,14H,3H2,(H4,9,10,12,13)
InChIKeyDWQQOTZSMJSANF-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.32
Rot. Bonds1

About (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol

(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol (PubChem CID 13345225) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol.

Molecular Properties

Compound Name(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol
PubChem CID13345225
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol
SMILESNc1nc(N)c2nc(CO)ccc2n1
InChIInChI=1S/C8H9N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-2,14H,3H2,(H4,9,10,12,13)
InChIKeyDWQQOTZSMJSANF-UHFFFAOYSA-N
XLogP-0.32
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol?
The IUPAC name of (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol (CID 13345225) is (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol.
What is the SMILES notation for (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol?
The canonical SMILES for (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol is Nc1nc(N)c2nc(CO)ccc2n1.
What is the InChIKey of (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol?
The InChIKey is DWQQOTZSMJSANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-2,14H,3H2,(H4,9,10,12,13).
What are the key properties of (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol?
(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol has a molecular weight of 191.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol is sourced from PubChem (CID 13345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).