ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate

C14H18N4O2 — CID 102972665

IUPACethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(-c2cnn(C)c2)ncc1C(=O)OCC
InChIInChI=1S/C14H18N4O2/c1-4-6-12-11(14(19)20-5-2)8-15-13(17-12)10-7-16-18(3)9-10/h7-9H,4-6H2,1-3H3
InChIKeyNRWCBIXCNJEZIM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate

ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate (PubChem CID 102972665) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
PubChem CID102972665
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(-c2cnn(C)c2)ncc1C(=O)OCC
InChIInChI=1S/C14H18N4O2/c1-4-6-12-11(14(19)20-5-2)8-15-13(17-12)10-7-16-18(3)9-10/h7-9H,4-6H2,1-3H3
InChIKeyNRWCBIXCNJEZIM-UHFFFAOYSA-N
XLogP2.01
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
ethyl 2-(5-bromo-2-pyridinyl)-4-propylpyrimidine-5-carboxylate
CID 102972749
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 4-(chloromethyl)-2-(furan-3-yl)pyrimidine-5-carboxylate
CID 102973339
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
CID 106445642
ethyl 4-(chloromethyl)-2-(1-methylimidazol-2-yl)pyrimidine-5-carboxylate
CID 102973448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate (CID 102972665) is ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate is CCCc1nc(-c2cnn(C)c2)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate?
The InChIKey is NRWCBIXCNJEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-6-12-11(14(19)20-5-2)8-15-13(17-12)10-7-16-18(3)9-10/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate?
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).