ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate

C15H17N3O2 — CID 755175

IUPACethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C15H17N3O2/c1-4-20-15(19)12-10-16-13(17-14(12)18(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyNRZSRUQWEVGPHR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds4

About ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate

ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate (PubChem CID 755175) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
PubChem CID755175
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C15H17N3O2/c1-4-20-15(19)12-10-16-13(17-14(12)18(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyNRZSRUQWEVGPHR-UHFFFAOYSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate (CID 755175) is ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is NRZSRUQWEVGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-20-15(19)12-10-16-13(17-14(12)18(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 755175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).