ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate

C11H16ClN5O2 — CID 1481937

IUPACethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H16ClN5O2/c1-2-19-11(18)17-5-3-16(4-6-17)9-7-8(12)14-10(13)15-9/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyMPSNLJWSIKJEGX-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.99
Rot. Bonds2

About ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 1481937) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID1481937
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Nameethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H16ClN5O2/c1-2-19-11(18)17-5-3-16(4-6-17)9-7-8(12)14-10(13)15-9/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyMPSNLJWSIKJEGX-UHFFFAOYSA-N
XLogP0.99
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 114011878
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51983147
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 42753898
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 31537927
ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 10572385
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate (CID 1481937) is ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is MPSNLJWSIKJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-2-19-11(18)17-5-3-16(4-6-17)9-7-8(12)14-10(13)15-9/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 285.74 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 1481937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).