6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine

C12H13ClN4O2 — CID 24958396

IUPAC6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OCC2CCOC2)c2nc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-6-7-3-4-18-5-7/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeyZALOATRUTHGYAC-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.68
Rot. Bonds3

About 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine

6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24958396) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24958396
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OCC2CCOC2)c2nc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-6-7-3-4-18-5-7/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeyZALOATRUTHGYAC-UHFFFAOYSA-N
XLogP1.68
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine (CID 24958396) is 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine is Nc1nc(OCC2CCOC2)c2nc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is ZALOATRUTHGYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-6-7-3-4-18-5-7/h1-2,7H,3-6H2,(H2,14,15,17).
What are the key properties of 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine?
6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 280.71 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24958396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).