ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate

C12H17ClN4O2 — CID 107877548

IUPACethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc(Cl)n2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-3-19-12(18)17-6-4-16(5-7-17)10-8-9(2)14-11(13)15-10/h8H,3-7H2,1-2H3
InChIKeyRGMGIFZWBJFEAB-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.72
Rot. Bonds2

About ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 107877548) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID107877548
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Nameethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc(Cl)n2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-3-19-12(18)17-6-4-16(5-7-17)10-8-9(2)14-11(13)15-10/h8H,3-7H2,1-2H3
InChIKeyRGMGIFZWBJFEAB-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
ethyl 4-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112923302
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 2747411
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
ethyl 4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112919896
ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074
ethyl 4-[2-(4-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923322
ethyl 4-(6-chloro-5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 13290753
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (CID 107877548) is ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C)nc(Cl)n2)CC1.
What is the InChIKey of ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is RGMGIFZWBJFEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-3-19-12(18)17-6-4-16(5-7-17)10-8-9(2)14-11(13)15-10/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 284.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 107877548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).