ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate

C12H17N3O2 — CID 102972850

IUPACethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC2)nc1CC
InChIInChI=1S/C12H17N3O2/c1-3-10-9(11(16)17-4-2)7-13-12(15-10)14-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyJMPTXTPBPVPTCI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate

ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate (PubChem CID 102972850) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
PubChem CID102972850
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC2)nc1CC
InChIInChI=1S/C12H17N3O2/c1-3-10-9(11(16)17-4-2)7-13-12(15-10)14-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyJMPTXTPBPVPTCI-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
CID 102972887
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637
ethyl 2-[[2-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112882454
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate (CID 102972850) is ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CC2)nc1CC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate?
The InChIKey is JMPTXTPBPVPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-10-9(11(16)17-4-2)7-13-12(15-10)14-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate?
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).