ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate

C15H20N6O2 — CID 136557739

IUPACethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1N1Cc2nn(C)c(N)c2C1
InChIInChI=1S/C15H20N6O2/c1-4-12-17-6-9(15(22)23-5-2)14(18-12)21-7-10-11(8-21)19-20(3)13(10)16/h6H,4-5,7-8,16H2,1-3H3
InChIKeyHFHWOHGEYRVVOR-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.05
Rot. Bonds4

About ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate

ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate (PubChem CID 136557739) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate
PubChem CID136557739
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Nameethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1N1Cc2nn(C)c(N)c2C1
InChIInChI=1S/C15H20N6O2/c1-4-12-17-6-9(15(22)23-5-2)14(18-12)21-7-10-11(8-21)19-20(3)13(10)16/h6H,4-5,7-8,16H2,1-3H3
InChIKeyHFHWOHGEYRVVOR-UHFFFAOYSA-N
XLogP1.05
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 56720961
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674
ethyl 2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 1474606
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate
CID 167984272
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate (CID 136557739) is ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC)nc1N1Cc2nn(C)c(N)c2C1.
What is the InChIKey of ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate?
The InChIKey is HFHWOHGEYRVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-4-12-17-6-9(15(22)23-5-2)14(18-12)21-7-10-11(8-21)19-20(3)13(10)16/h6H,4-5,7-8,16H2,1-3H3.
What are the key properties of ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate?
ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 136557739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).