2-(phosphorosomethyl)pyrimidine

C5H5N2OP — CID 90114158

IUPAC2-(phosphorosomethyl)pyrimidine
SMILESO=PCc1ncccn1
InChIInChI=1S/C5H5N2OP/c8-9-4-5-6-2-1-3-7-5/h1-3H,4H2
InChIKeyDUUBNNKPYWTBDE-UHFFFAOYSA-N
MW140.08 g/mol
LogP1.27
Rot. Bonds2

About 2-(phosphorosomethyl)pyrimidine

2-(phosphorosomethyl)pyrimidine (PubChem CID 90114158) has the molecular formula C5H5N2OP and a molecular weight of 140.08 g/mol. Its IUPAC name is 2-(phosphorosomethyl)pyrimidine.

Molecular Properties

Compound Name2-(phosphorosomethyl)pyrimidine
PubChem CID90114158
Molecular FormulaC5H5N2OP
Molecular Weight140.08 g/mol
Exact Mass140.01
IUPAC Name2-(phosphorosomethyl)pyrimidine
SMILESO=PCc1ncccn1
InChIInChI=1S/C5H5N2OP/c8-9-4-5-6-2-1-3-7-5/h1-3H,4H2
InChIKeyDUUBNNKPYWTBDE-UHFFFAOYSA-N
XLogP1.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 51.27
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

pyrimidin-2-ylmethanol
CID 2763024
N-methylidene-2-pyrimidin-2-ylacetamide
CID 123637455
4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
CID 122674343
ethane;pyrimidin-2-ylmethanol
CID 143639944
phosphorosomethylbenzene
CID 21189101
2,3-diphosphorosopyrazine
CID 150073121
1-(pyrimidin-2-ylmethyl)diaziridin-3-one
CID 134537776
2-prop-2-enylpyrimidine
CID 20526273
2-(pyrimidin-2-ylmethyl)-1,3,5-triazine
CID 67979654
2-sulfanyloxypyrimidine
CID 19387748
CID 57442291
CID 57442291
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494

Frequently Asked Questions

What is the IUPAC name of 2-(phosphorosomethyl)pyrimidine?
The IUPAC name of 2-(phosphorosomethyl)pyrimidine (CID 90114158) is 2-(phosphorosomethyl)pyrimidine.
What is the SMILES notation for 2-(phosphorosomethyl)pyrimidine?
The canonical SMILES for 2-(phosphorosomethyl)pyrimidine is O=PCc1ncccn1.
What is the InChIKey of 2-(phosphorosomethyl)pyrimidine?
The InChIKey is DUUBNNKPYWTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2OP/c8-9-4-5-6-2-1-3-7-5/h1-3H,4H2.
What are the key properties of 2-(phosphorosomethyl)pyrimidine?
2-(phosphorosomethyl)pyrimidine has a molecular weight of 140.08 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphorosomethyl)pyrimidine is sourced from PubChem (CID 90114158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).