methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate

C12H16N2O2 — CID 122239311

IUPACmethyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(C)C)nc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-7(2)9-6-10(12(15)16-3)14-11(13-9)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyZULZHDKGJYYZAB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate

methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate (PubChem CID 122239311) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate
PubChem CID122239311
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(C)C)nc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-7(2)9-6-10(12(15)16-3)14-11(13-9)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyZULZHDKGJYYZAB-UHFFFAOYSA-N
XLogP2.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate (CID 122239311) is methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate is COC(=O)c1cc(C(C)C)nc(C2CC2)n1.
What is the InChIKey of methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate?
The InChIKey is ZULZHDKGJYYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)9-6-10(12(15)16-3)14-11(13-9)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate?
methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 122239311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).