N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine

C13H12N4O2P2 — CID 142951468

IUPACN-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine
SMILESONc1ncc2cc(Oc3ccc(P)cc3P)ncc2n1
InChIInChI=1S/C13H12N4O2P2/c18-17-13-15-5-7-3-12(14-6-9(7)16-13)19-10-2-1-8(20)4-11(10)21/h1-6,18H,20-21H2,(H,15,16,17)
InChIKeyWFAZXKAVCGGTKG-UHFFFAOYSA-N
MW318.21 g/mol
LogP1.62
Rot. Bonds3

About N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine

N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine (PubChem CID 142951468) has the molecular formula C13H12N4O2P2 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine
PubChem CID142951468
Molecular FormulaC13H12N4O2P2
Molecular Weight318.21 g/mol
Exact Mass318.04
IUPAC NameN-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine
SMILESONc1ncc2cc(Oc3ccc(P)cc3P)ncc2n1
InChIInChI=1S/C13H12N4O2P2/c18-17-13-15-5-7-3-12(14-6-9(7)16-13)19-10-2-1-8(20)4-11(10)21/h1-6,18H,20-21H2,(H,15,16,17)
InChIKeyWFAZXKAVCGGTKG-UHFFFAOYSA-N
XLogP1.62
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine
CID 142951473
6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 11428301
2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
CID 11460591
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
methyl 4-phosphanyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 152853712
N-pyrido[3,4-d]pyrimidin-2-ylacetamide
CID 67452729
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70190585
N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
CID 154946747
(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid
CID 167978058
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
CID 67061404

Frequently Asked Questions

What is the IUPAC name of N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine?
The IUPAC name of N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine (CID 142951468) is N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine.
What is the SMILES notation for N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine?
The canonical SMILES for N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine is ONc1ncc2cc(Oc3ccc(P)cc3P)ncc2n1.
What is the InChIKey of N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine?
The InChIKey is WFAZXKAVCGGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2P2/c18-17-13-15-5-7-3-12(14-6-9(7)16-13)19-10-2-1-8(20)4-11(10)21/h1-6,18H,20-21H2,(H,15,16,17).
What are the key properties of N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine?
N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine has a molecular weight of 318.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine is sourced from PubChem (CID 142951468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).