(4,6-dimethylpyrimidin-2-yl)phosphane

C6H9N2P — CID 177203756

IUPAC(4,6-dimethylpyrimidin-2-yl)phosphane
SMILESCc1cc(C)nc(P)n1
InChIInChI=1S/C6H9N2P/c1-4-3-5(2)8-6(9)7-4/h3H,9H2,1-2H3
InChIKeyJXQDOYXCDIRQPQ-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.59
Rot. Bonds

About (4,6-dimethylpyrimidin-2-yl)phosphane

(4,6-dimethylpyrimidin-2-yl)phosphane (PubChem CID 177203756) has the molecular formula C6H9N2P and a molecular weight of 140.13 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)phosphane.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)phosphane
PubChem CID177203756
Molecular FormulaC6H9N2P
Molecular Weight140.13 g/mol
Exact Mass140.05
IUPAC Name(4,6-dimethylpyrimidin-2-yl)phosphane
SMILESCc1cc(C)nc(P)n1
InChIInChI=1S/C6H9N2P/c1-4-3-5(2)8-6(9)7-4/h3H,9H2,1-2H3
InChIKeyJXQDOYXCDIRQPQ-UHFFFAOYSA-N
XLogP0.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.59
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

2-chloro-4,6-dimethylpyrimidine
CID 20550
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
sulfane;2,4,6-trimethylpyridine
CID 69294176
N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine
CID 13144367
2,6-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyridine
CID 157163844
4,6-dimethyl-2-nitrosopyrimidine
CID 14384659
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
2-(1-chloroethyl)-4,6-dimethylpyrimidine
CID 80655731
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile
CID 116895934

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl)phosphane?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)phosphane (CID 177203756) is (4,6-dimethylpyrimidin-2-yl)phosphane.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)phosphane?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)phosphane is Cc1cc(C)nc(P)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)phosphane?
The InChIKey is JXQDOYXCDIRQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2P/c1-4-3-5(2)8-6(9)7-4/h3H,9H2,1-2H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)phosphane?
(4,6-dimethylpyrimidin-2-yl)phosphane has a molecular weight of 140.13 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)phosphane is sourced from PubChem (CID 177203756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).