methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate

C13H18N4O2 — CID 66589828

IUPACmethyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-19-12(18)10-8-14-13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyFKPHRVXCPQKMDY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate

methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate (PubChem CID 66589828) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
PubChem CID66589828
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-19-12(18)10-8-14-13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyFKPHRVXCPQKMDY-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-cyclopropyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 66589974
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
CID 175262489
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 2-[(2S)-2-cyclohexylpyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 164636830
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762763
methyl 2-(methylamino)pyrimidine-5-carboxylate
CID 74890609
tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
CID 155296742

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate (CID 66589828) is methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate is COC(=O)c1cnc(N2CCN(C3CC3)CC2)nc1.
What is the InChIKey of methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate?
The InChIKey is FKPHRVXCPQKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-12(18)10-8-14-13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate?
methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 66589828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).