ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate

C14H15N3O2 — CID 53306074

IUPACethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-3-19-13(18)11-9(2)16-14(15)17-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyGKLKNSVXVXZKHC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 53306074) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID53306074
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-3-19-13(18)11-9(2)16-14(15)17-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyGKLKNSVXVXZKHC-UHFFFAOYSA-N
XLogP2.21
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 53306074) is ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is GKLKNSVXVXZKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-19-13(18)11-9(2)16-14(15)17-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 53306074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).