2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid

C16H15N7O5 — CID 137308255

IUPAC2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid
SMILESNc1nccc(-c2ccnc(-c3ccnc(N)n3)c2O)n1.O=C(O)CC(=O)O
InChIInChI=1S/C13H11N7O.C3H4O4/c14-12-17-5-2-8(19-12)7-1-4-16-10(11(7)21)9-3-6-18-13(15)20-9;4-2(5)1-3(6)7/h1-6,21H,(H2,14,17,19)(H2,15,18,20);1H2,(H,4,5)(H,6,7)
InChIKeyOUWJZNFVXPPZMQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP0.41
Rot. Bonds4

About 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid

2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid (PubChem CID 137308255) has the molecular formula C16H15N7O5 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid.

Molecular Properties

Compound Name2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid
PubChem CID137308255
Molecular FormulaC16H15N7O5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Name2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid
SMILESNc1nccc(-c2ccnc(-c3ccnc(N)n3)c2O)n1.O=C(O)CC(=O)O
InChIInChI=1S/C13H11N7O.C3H4O4/c14-12-17-5-2-8(19-12)7-1-4-16-10(11(7)21)9-3-6-18-13(15)20-9;4-2(5)1-3(6)7/h1-6,21H,(H2,14,17,19)(H2,15,18,20);1H2,(H,4,5)(H,6,7)
InChIKeyOUWJZNFVXPPZMQ-UHFFFAOYSA-N
XLogP0.41
TPSA211.32 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 50.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid?
The IUPAC name of 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid (CID 137308255) is 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid.
What is the SMILES notation for 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid?
The canonical SMILES for 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid is Nc1nccc(-c2ccnc(-c3ccnc(N)n3)c2O)n1.O=C(O)CC(=O)O.
What is the InChIKey of 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid?
The InChIKey is OUWJZNFVXPPZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O.C3H4O4/c14-12-17-5-2-8(19-12)7-1-4-16-10(11(7)21)9-3-6-18-13(15)20-9;4-2(5)1-3(6)7/h1-6,21H,(H2,14,17,19)(H2,15,18,20);1H2,(H,4,5)(H,6,7).
What are the key properties of 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid?
2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid has a molecular weight of 385.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid is sourced from PubChem (CID 137308255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).