2-dimethylphosphoryl-4-methoxypyrimidine

C7H11N2O2P — CID 175558175

IUPAC2-dimethylphosphoryl-4-methoxypyrimidine
SMILESCOc1ccnc(P(C)(C)=O)n1
InChIInChI=1S/C7H11N2O2P/c1-11-6-4-5-8-7(9-6)12(2,3)10/h4-5H,1-3H3
InChIKeyVWQGUQNHUIKSQE-UHFFFAOYSA-N
MW186.15 g/mol
LogP0.73
Rot. Bonds2

About 2-dimethylphosphoryl-4-methoxypyrimidine

2-dimethylphosphoryl-4-methoxypyrimidine (PubChem CID 175558175) has the molecular formula C7H11N2O2P and a molecular weight of 186.15 g/mol. Its IUPAC name is 2-dimethylphosphoryl-4-methoxypyrimidine.

Molecular Properties

Compound Name2-dimethylphosphoryl-4-methoxypyrimidine
PubChem CID175558175
Molecular FormulaC7H11N2O2P
Molecular Weight186.15 g/mol
Exact Mass186.06
IUPAC Name2-dimethylphosphoryl-4-methoxypyrimidine
SMILESCOc1ccnc(P(C)(C)=O)n1
InChIInChI=1S/C7H11N2O2P/c1-11-6-4-5-8-7(9-6)12(2,3)10/h4-5H,1-3H3
InChIKeyVWQGUQNHUIKSQE-UHFFFAOYSA-N
XLogP0.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-propoxypyrimidine
CID 173471220
4-methoxy-2-(2-methoxyethyl)pyrimidine
CID 174759765
4-methoxypyrimidine-2-sulfonic acid;hydrate
CID 174301054
2-ethoxy-4-methoxypyrimidine
CID 119088608
2-(4-methoxypyrimidin-2-yl)propan-2-amine
CID 126980299
disodium;hydride;4-methoxypyrimidine-2-sulfonic acid
CID 175577325
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
CID 63199342

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-4-methoxypyrimidine?
The IUPAC name of 2-dimethylphosphoryl-4-methoxypyrimidine (CID 175558175) is 2-dimethylphosphoryl-4-methoxypyrimidine.
What is the SMILES notation for 2-dimethylphosphoryl-4-methoxypyrimidine?
The canonical SMILES for 2-dimethylphosphoryl-4-methoxypyrimidine is COc1ccnc(P(C)(C)=O)n1.
What is the InChIKey of 2-dimethylphosphoryl-4-methoxypyrimidine?
The InChIKey is VWQGUQNHUIKSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O2P/c1-11-6-4-5-8-7(9-6)12(2,3)10/h4-5H,1-3H3.
What are the key properties of 2-dimethylphosphoryl-4-methoxypyrimidine?
2-dimethylphosphoryl-4-methoxypyrimidine has a molecular weight of 186.15 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-4-methoxypyrimidine is sourced from PubChem (CID 175558175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).