6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine

C12H13ClN4O2 — CID 24958394

IUPAC6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OC2CCOCC2)c2nc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-7-3-5-18-6-4-7/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeyLEAKPVUJUIOKAR-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.82
Rot. Bonds2

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

6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24958394) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24958394
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OC2CCOCC2)c2nc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-7-3-5-18-6-4-7/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeyLEAKPVUJUIOKAR-UHFFFAOYSA-N
XLogP1.82
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.82
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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Related Compounds

6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958396
6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
CID 115474519
4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24958393
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine
CID 87695392
3-chloro-6-(oxan-4-yloxy)pyridazine
CID 53256682
4-cyclobutyloxyquinazolin-2-amine
CID 80873380
6-chloro-3-methyl-2-(oxolan-3-yloxy)pyridine
CID 144854870
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 177179845
4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 24961448
6-chloro-4-cyclopropyloxy-N-[(4-methylsulfonylphenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 91050562
2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide
CID 66810292

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine (CID 24958394) is 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine is Nc1nc(OC2CCOCC2)c2nc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LEAKPVUJUIOKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-9-2-1-8-10(16-9)11(17-12(14)15-8)19-7-3-5-18-6-4-7/h1-2,7H,3-6H2,(H2,14,15,17).
What are the key properties of 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 280.71 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24958394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).