2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

C15H18N4O2 — CID 54852097

IUPAC2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18)
InChIKeyJFGNHTGHEVVDBK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852097) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852097
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18)
InChIKeyJFGNHTGHEVVDBK-UHFFFAOYSA-N
XLogP1.74
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852097) is 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is COc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is JFGNHTGHEVVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).