2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide

C20H20N4O2 — CID 54854022

IUPAC2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-18(19(25)22-2)17(24-20(21)23-13)12-26-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyLFIKNBOTEPDTAY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide

2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide (PubChem CID 54854022) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
PubChem CID54854022
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-18(19(25)22-2)17(24-20(21)23-13)12-26-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyLFIKNBOTEPDTAY-UHFFFAOYSA-N
XLogP2.97
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
CID 54853723
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide (CID 54854022) is 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide?
The InChIKey is LFIKNBOTEPDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-18(19(25)22-2)17(24-20(21)23-13)12-26-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,23,24).
What are the key properties of 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide?
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54854022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).