[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate

C13H18N4O2 — CID 175262489

IUPAC[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
SMILESCC(=O)Oc1cnc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-10(18)19-12-8-14-13(15-9-12)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyYCZAFLVNNJTZGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.69
Rot. Bonds3

About [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate

[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate (PubChem CID 175262489) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate.

Molecular Properties

Compound Name[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
PubChem CID175262489
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
SMILESCC(=O)Oc1cnc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-10(18)19-12-8-14-13(15-9-12)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyYCZAFLVNNJTZGH-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 66589828
methyl 2-(4-cyclopropyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 66589974
1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
CID 166445399
4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 100694112
1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762763
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186326
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
2-[4-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2,2-trifluoroacetic acid
CID 46829272
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate?
The IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate (CID 175262489) is [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate.
What is the SMILES notation for [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate?
The canonical SMILES for [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate is CC(=O)Oc1cnc(N2CCN(C3CC3)CC2)nc1.
What is the InChIKey of [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate?
The InChIKey is YCZAFLVNNJTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(18)19-12-8-14-13(15-9-12)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate?
[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate has a molecular weight of 262.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate is sourced from PubChem (CID 175262489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).