ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

C18H23N3O2 — CID 134844115

IUPACethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N(CC)CC)nc1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-5-21(6-2)18-19-13(4)15(17(22)23-7-3)16(20-18)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyMMFCEMPBCUSQTR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.47
Rot. Bonds6

About ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 134844115) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID134844115
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N(CC)CC)nc1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-5-21(6-2)18-19-13(4)15(17(22)23-7-3)16(20-18)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyMMFCEMPBCUSQTR-UHFFFAOYSA-N
XLogP3.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 134844115) is ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N(CC)CC)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is MMFCEMPBCUSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-21(6-2)18-19-13(4)15(17(22)23-7-3)16(20-18)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 134844115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).