ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate

C15H17N3O3 — CID 106793658

IUPACethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(C)cc2OC)nc1N
InChIInChI=1S/C15H17N3O3/c1-4-21-15(19)11-8-17-14(18-13(11)16)10-6-5-9(2)7-12(10)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyJDHQVKIVLZFJOU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.22
Rot. Bonds4

About ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate

ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate (PubChem CID 106793658) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
PubChem CID106793658
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(C)cc2OC)nc1N
InChIInChI=1S/C15H17N3O3/c1-4-21-15(19)11-8-17-14(18-13(11)16)10-6-5-9(2)7-12(10)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyJDHQVKIVLZFJOU-UHFFFAOYSA-N
XLogP2.22
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 106793219
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
ethyl 4-amino-2-(3,4,5-trifluorophenyl)pyrimidine-5-carboxylate
CID 116646931
ethyl 4-amino-2-(4-tert-butylphenyl)pyrimidine-5-carboxylate
CID 82168426
ethyl 4-amino-2-(4-bromo-3,5-dimethylphenyl)pyrimidine-5-carboxylate
CID 114331281
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
CID 116646861
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate (CID 106793658) is ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(C)cc2OC)nc1N.
What is the InChIKey of ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate?
The InChIKey is JDHQVKIVLZFJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-21-15(19)11-8-17-14(18-13(11)16)10-6-5-9(2)7-12(10)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 106793658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).