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

C15H17N3O2 — CID 10754586

IUPACethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-4-20-14(19)12-10-16-15(18(2)3)17-13(12)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyCTDMIKSYIGJVQZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds4

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

ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate (PubChem CID 10754586) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate
PubChem CID10754586
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-4-20-14(19)12-10-16-15(18(2)3)17-13(12)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyCTDMIKSYIGJVQZ-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 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate (CID 10754586) is ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)C)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate?
The InChIKey is CTDMIKSYIGJVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-20-14(19)12-10-16-15(18(2)3)17-13(12)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate?
ethyl 2-(dimethylamino)-4-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 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 10754586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).