methyl 5-propylpyrimidine-2-carboxylate

C9H12N2O2 — CID 162961445

IUPACmethyl 5-propylpyrimidine-2-carboxylate
SMILESCCCc1cnc(C(=O)OC)nc1
InChIInChI=1S/C9H12N2O2/c1-3-4-7-5-10-8(11-6-7)9(12)13-2/h5-6H,3-4H2,1-2H3
InChIKeyQEJMBFZEGUIICO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.22
Rot. Bonds3

About methyl 5-propylpyrimidine-2-carboxylate

methyl 5-propylpyrimidine-2-carboxylate (PubChem CID 162961445) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 5-propylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-propylpyrimidine-2-carboxylate
PubChem CID162961445
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 5-propylpyrimidine-2-carboxylate
SMILESCCCc1cnc(C(=O)OC)nc1
InChIInChI=1S/C9H12N2O2/c1-3-4-7-5-10-8(11-6-7)9(12)13-2/h5-6H,3-4H2,1-2H3
InChIKeyQEJMBFZEGUIICO-UHFFFAOYSA-N
XLogP1.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-propylpyrimidine-2-carboxylate?
The IUPAC name of methyl 5-propylpyrimidine-2-carboxylate (CID 162961445) is methyl 5-propylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-propylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-propylpyrimidine-2-carboxylate is CCCc1cnc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-propylpyrimidine-2-carboxylate?
The InChIKey is QEJMBFZEGUIICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-4-7-5-10-8(11-6-7)9(12)13-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 5-propylpyrimidine-2-carboxylate?
methyl 5-propylpyrimidine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-propylpyrimidine-2-carboxylate is sourced from PubChem (CID 162961445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).