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

C19H18N4O2 — CID 20554387

IUPACethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1N
InChIInChI=1S/C19H18N4O2/c1-2-25-19(24)14-12-21-17(13-8-4-3-5-9-13)23-18(14)22-16-11-7-6-10-15(16)20/h3-12H,2,20H2,1H3,(H,21,22,23)
InChIKeyVAPBUBUBGIMVSH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds5

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

ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate (PubChem CID 20554387) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
PubChem CID20554387
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nameethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1N
InChIInChI=1S/C19H18N4O2/c1-2-25-19(24)14-12-21-17(13-8-4-3-5-9-13)23-18(14)22-16-11-7-6-10-15(16)20/h3-12H,2,20H2,1H3,(H,21,22,23)
InChIKeyVAPBUBUBGIMVSH-UHFFFAOYSA-N
XLogP3.65
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108776559
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 4-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylpyrimidine-5-carboxylate
CID 108774226
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 4-(N-amino-2-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 70560867
ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112
ethyl 2-methylsulfanyl-4-(naphthalen-1-ylamino)pyrimidine-5-carboxylate
CID 849417
ethyl 2,4-bis(1H-indazol-7-ylamino)pyrimidine-5-carboxylate
CID 22060714

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate (CID 20554387) is ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1N.
What is the InChIKey of ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is VAPBUBUBGIMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-19(24)14-12-21-17(13-8-4-3-5-9-13)23-18(14)22-16-11-7-6-10-15(16)20/h3-12H,2,20H2,1H3,(H,21,22,23).
What are the key properties of ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 20554387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).