5-dimethylphosphoryl-4-methylpyrimidine

C7H11N2OP — CID 167253089

IUPAC5-dimethylphosphoryl-4-methylpyrimidine
SMILESCc1ncncc1P(C)(C)=O
InChIInChI=1S/C7H11N2OP/c1-6-7(11(2,3)10)4-8-5-9-6/h4-5H,1-3H3
InChIKeyCBLRSGDCHBXYKB-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.03
Rot. Bonds1

About 5-dimethylphosphoryl-4-methylpyrimidine

5-dimethylphosphoryl-4-methylpyrimidine (PubChem CID 167253089) has the molecular formula C7H11N2OP and a molecular weight of 170.15 g/mol. Its IUPAC name is 5-dimethylphosphoryl-4-methylpyrimidine.

Molecular Properties

Compound Name5-dimethylphosphoryl-4-methylpyrimidine
PubChem CID167253089
Molecular FormulaC7H11N2OP
Molecular Weight170.15 g/mol
Exact Mass170.06
IUPAC Name5-dimethylphosphoryl-4-methylpyrimidine
SMILESCc1ncncc1P(C)(C)=O
InChIInChI=1S/C7H11N2OP/c1-6-7(11(2,3)10)4-8-5-9-6/h4-5H,1-3H3
InChIKeyCBLRSGDCHBXYKB-UHFFFAOYSA-N
XLogP1.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylpyrimidine;hydrochloride
CID 126810746
5-(difluoromethyl)-4-methylpyrimidine
CID 170225659
5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761
2-amino-1-(4-methylpyrimidin-5-yl)ethanone
CID 82417351
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
N-(cyanomethyl)-4-methylpyrimidine-5-carboxamide
CID 130662590
4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
CID 130718969
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047
5-butan-2-yl-4-methylpyrimidine
CID 138494924
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
formaldehyde;bis(pteridine)
CID 174932722
4-(4-methylpyrimidin-5-yl)benzoic acid
CID 105467481

Frequently Asked Questions

What is the IUPAC name of 5-dimethylphosphoryl-4-methylpyrimidine?
The IUPAC name of 5-dimethylphosphoryl-4-methylpyrimidine (CID 167253089) is 5-dimethylphosphoryl-4-methylpyrimidine.
What is the SMILES notation for 5-dimethylphosphoryl-4-methylpyrimidine?
The canonical SMILES for 5-dimethylphosphoryl-4-methylpyrimidine is Cc1ncncc1P(C)(C)=O.
What is the InChIKey of 5-dimethylphosphoryl-4-methylpyrimidine?
The InChIKey is CBLRSGDCHBXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2OP/c1-6-7(11(2,3)10)4-8-5-9-6/h4-5H,1-3H3.
What are the key properties of 5-dimethylphosphoryl-4-methylpyrimidine?
5-dimethylphosphoryl-4-methylpyrimidine has a molecular weight of 170.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphoryl-4-methylpyrimidine is sourced from PubChem (CID 167253089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).