ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate

C8H12N4O2 — CID 116646909

IUPACethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC)nc1N
InChIInChI=1S/C8H12N4O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyROQRPXKATQJFTD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.28
Rot. Bonds3

About ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate

ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate (PubChem CID 116646909) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
PubChem CID116646909
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Nameethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC)nc1N
InChIInChI=1S/C8H12N4O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyROQRPXKATQJFTD-UHFFFAOYSA-N
XLogP0.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-amino-2-(3,4,5-trifluorophenyl)pyrimidine-5-carboxylate
CID 116646931
(2S)-2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylpropanoic acid
CID 864485
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
ethyl 2-methyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 90923584
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 78906339

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate (CID 116646909) is ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC)nc1N.
What is the InChIKey of ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is ROQRPXKATQJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).