ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate

C16H22N4O2 — CID 144539371

IUPACethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
SMILESCC.CCOC(=O)c1c(C)nc(N)nc1Nc1ccccc1
InChIInChI=1S/C14H16N4O2.C2H6/c1-3-20-13(19)11-9(2)16-14(15)18-12(11)17-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H3,15,16,17,18);1-2H3
InChIKeyCLTOVVRKXDCWRF-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.31
Rot. Bonds4

About ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate

ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate (PubChem CID 144539371) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
PubChem CID144539371
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nameethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
SMILESCC.CCOC(=O)c1c(C)nc(N)nc1Nc1ccccc1
InChIInChI=1S/C14H16N4O2.C2H6/c1-3-20-13(19)11-9(2)16-14(15)18-12(11)17-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H3,15,16,17,18);1-2H3
InChIKeyCLTOVVRKXDCWRF-UHFFFAOYSA-N
XLogP3.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
ethyl 2-anilino-6-bromo-4-chloroquinoline-3-carboxylate
CID 58180803
4-O-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7593781
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate
CID 135084017
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
ethyl 4-bromo-6-(4-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 101042049

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate (CID 144539371) is ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate is CC.CCOC(=O)c1c(C)nc(N)nc1Nc1ccccc1.
What is the InChIKey of ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate?
The InChIKey is CLTOVVRKXDCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.C2H6/c1-3-20-13(19)11-9(2)16-14(15)18-12(11)17-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H3,15,16,17,18);1-2H3.
What are the key properties of ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate?
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 144539371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).