2-methylpyrimidine;phosphoric acid

C5H9N2O4P — CID 159617160

IUPAC2-methylpyrimidine;phosphoric acid
SMILESCc1ncccn1.O=P(O)(O)O
InChIInChI=1S/C5H6N2.H3O4P/c1-5-6-3-2-4-7-5;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4)
InChIKeyMNKSIKSZZFWXES-UHFFFAOYSA-N
MW192.11 g/mol
LogP-0.14
Rot. Bonds

About 2-methylpyrimidine;phosphoric acid

2-methylpyrimidine;phosphoric acid (PubChem CID 159617160) has the molecular formula C5H9N2O4P and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-methylpyrimidine;phosphoric acid.

Molecular Properties

Compound Name2-methylpyrimidine;phosphoric acid
PubChem CID159617160
Molecular FormulaC5H9N2O4P
Molecular Weight192.11 g/mol
Exact Mass192.03
IUPAC Name2-methylpyrimidine;phosphoric acid
SMILESCc1ncccn1.O=P(O)(O)O
InChIInChI=1S/C5H6N2.H3O4P/c1-5-6-3-2-4-7-5;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4)
InChIKeyMNKSIKSZZFWXES-UHFFFAOYSA-N
XLogP-0.14
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpyrimidine;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylpyrimidine;propane
CID 145481789
formaldehyde;bis(1,5-naphthyridine);phosphoric acid
CID 175591589
2-methylpyrimidine;toluene
CID 157227208
2-methylpyrimidine;1-methylpyrrole
CID 19371858
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
(4-methylphenyl)phosphonic acid;pyridin-2-amine
CID 44889967
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
CID 70504885
CID 70504885
N-methoxypyrimidine-2-carboxamide
CID 115635317
(1-phosphono-2-pyrimidin-2-ylethyl)phosphonic acid
CID 22365324
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol
CID 87110897

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine;phosphoric acid?
The IUPAC name of 2-methylpyrimidine;phosphoric acid (CID 159617160) is 2-methylpyrimidine;phosphoric acid.
What is the SMILES notation for 2-methylpyrimidine;phosphoric acid?
The canonical SMILES for 2-methylpyrimidine;phosphoric acid is Cc1ncccn1.O=P(O)(O)O.
What is the InChIKey of 2-methylpyrimidine;phosphoric acid?
The InChIKey is MNKSIKSZZFWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.H3O4P/c1-5-6-3-2-4-7-5;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4).
What are the key properties of 2-methylpyrimidine;phosphoric acid?
2-methylpyrimidine;phosphoric acid has a molecular weight of 192.11 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine;phosphoric acid is sourced from PubChem (CID 159617160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).