ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate

C8H12N4O2 — CID 745254

IUPACethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1N
InChIInChI=1S/C8H12N4O2/c1-3-14-7(13)5-4(2)11-8(10)12-6(5)9/h3H2,1-2H3,(H4,9,10,11,12)
InChIKeyZKAWTDCHGFVDEM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.13
Rot. Bonds2

About ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate

ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate (PubChem CID 745254) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate
PubChem CID745254
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Nameethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1N
InChIInChI=1S/C8H12N4O2/c1-3-14-7(13)5-4(2)11-8(10)12-6(5)9/h3H2,1-2H3,(H4,9,10,11,12)
InChIKeyZKAWTDCHGFVDEM-UHFFFAOYSA-N
XLogP0.13
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate (CID 745254) is ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1N.
What is the InChIKey of ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate?
The InChIKey is ZKAWTDCHGFVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-14-7(13)5-4(2)11-8(10)12-6(5)9/h3H2,1-2H3,(H4,9,10,11,12).
What are the key properties of ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate?
ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diamino-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 745254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).