methyl 2-piperazin-1-ylpyrimidine-4-carboxylate

C10H14N4O2 — CID 131596703

IUPACmethyl 2-piperazin-1-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)8-2-3-12-10(13-8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3
InChIKeyQQHXWMAUOVTYFK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.33
Rot. Bonds2

About methyl 2-piperazin-1-ylpyrimidine-4-carboxylate

methyl 2-piperazin-1-ylpyrimidine-4-carboxylate (PubChem CID 131596703) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylpyrimidine-4-carboxylate
PubChem CID131596703
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 2-piperazin-1-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)8-2-3-12-10(13-8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3
InChIKeyQQHXWMAUOVTYFK-UHFFFAOYSA-N
XLogP-0.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrimidine-4-carboxylate
CID 135356845
methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
CID 137498664
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
CID 174326675
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
CID 135278992
methyl 2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyrimidine-4-carboxylate
CID 155685399
N-[(2E,4E)-5-amino-1-oxo-4-(2-piperazin-1-ylpyrimidin-4-yl)penta-2,4-dien-2-yl]-4-tert-butylbenzamide
CID 90261327
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672451
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-piperazin-1-ylpyrimidine-4-carboxylate (CID 131596703) is methyl 2-piperazin-1-ylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-piperazin-1-ylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-piperazin-1-ylpyrimidine-4-carboxylate is COC(=O)c1ccnc(N2CCNCC2)n1.
What is the InChIKey of methyl 2-piperazin-1-ylpyrimidine-4-carboxylate?
The InChIKey is QQHXWMAUOVTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-9(15)8-2-3-12-10(13-8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3.
What are the key properties of methyl 2-piperazin-1-ylpyrimidine-4-carboxylate?
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate has a molecular weight of 222.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 131596703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).