[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane

C10H10N2P2 — CID 59413814

IUPAC[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane
SMILESPc1ccc(-c2ncc(P)cn2)cc1
InChIInChI=1S/C10H10N2P2/c13-8-3-1-7(2-4-8)10-11-5-9(14)6-12-10/h1-6H,13-14H2
InChIKeyPTCOUFQWXJJZLB-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.14
Rot. Bonds1

About [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane

[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane (PubChem CID 59413814) has the molecular formula C10H10N2P2 and a molecular weight of 220.15 g/mol. Its IUPAC name is [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane.

Molecular Properties

Compound Name[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane
PubChem CID59413814
Molecular FormulaC10H10N2P2
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane
SMILESPc1ccc(-c2ncc(P)cn2)cc1
InChIInChI=1S/C10H10N2P2/c13-8-3-1-7(2-4-8)10-11-5-9(14)6-12-10/h1-6H,13-14H2
InChIKeyPTCOUFQWXJJZLB-UHFFFAOYSA-N
XLogP1.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
CID 90990178
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
5-chloro-2-pyridin-4-ylpyrimidine
CID 71723010
2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
2,5-bis(4-chlorophenyl)pyrimidine
CID 174829334
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
CID 22416326
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
2-(4-chlorophenyl)pyrimidin-5-ol
CID 59322178
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
2-(4-chlorophenyl)pyrimidin-5-amine
CID 609457
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112

Frequently Asked Questions

What is the IUPAC name of [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane?
The IUPAC name of [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane (CID 59413814) is [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane.
What is the SMILES notation for [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane?
The canonical SMILES for [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane is Pc1ccc(-c2ncc(P)cn2)cc1.
What is the InChIKey of [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane?
The InChIKey is PTCOUFQWXJJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2P2/c13-8-3-1-7(2-4-8)10-11-5-9(14)6-12-10/h1-6H,13-14H2.
What are the key properties of [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane?
[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane has a molecular weight of 220.15 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane is sourced from PubChem (CID 59413814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).