6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine

C13H11ClN4OP2 — CID 142951473

IUPAC6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2cnc(Oc3ccc(P)cc3P)cc12
InChIInChI=1S/C13H11ClN4OP2/c14-13-17-8-5-16-11(4-7(8)12(15)18-13)19-9-2-1-6(20)3-10(9)21/h1-5H,20-21H2,(H2,15,17,18)
InChIKeyXQFAFJWPWLYHAR-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.05
Rot. Bonds2

About 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine

6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 142951473) has the molecular formula C13H11ClN4OP2 and a molecular weight of 336.66 g/mol. Its IUPAC name is 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine
PubChem CID142951473
Molecular FormulaC13H11ClN4OP2
Molecular Weight336.66 g/mol
Exact Mass336.01
IUPAC Name6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2cnc(Oc3ccc(P)cc3P)cc12
InChIInChI=1S/C13H11ClN4OP2/c14-13-17-8-5-16-11(4-7(8)12(15)18-13)19-9-2-1-6(20)3-10(9)21/h1-5H,20-21H2,(H2,15,17,18)
InChIKeyXQFAFJWPWLYHAR-UHFFFAOYSA-N
XLogP2.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2,4-bis(phosphanyl)phenoxy]pyrido[3,4-d]pyrimidin-2-yl]hydroxylamine
CID 142951468
2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 162028964
2-chlorobenzo[g]quinazolin-4-amine
CID 134830361
2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
CID 11460591
4-amino-2-chloroquinazolin-7-ol
CID 136693537
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
CID 87714361
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
[2,4-bis(phosphanyl)phenyl]phosphane
CID 169258511
4-chloro-2-[(5-chloro-2-pyridinyl)oxy]aniline
CID 62306379
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642

Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine (CID 142951473) is 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine is Nc1nc(Cl)nc2cnc(Oc3ccc(P)cc3P)cc12.
What is the InChIKey of 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XQFAFJWPWLYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OP2/c14-13-17-8-5-16-11(4-7(8)12(15)18-13)19-9-2-1-6(20)3-10(9)21/h1-5H,20-21H2,(H2,15,17,18).
What are the key properties of 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine?
6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 336.66 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142951473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).