2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide

C20H28N4O — CID 54853967

IUPAC2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N4O/c1-7-24(8-2)18(25)16-13(3)22-19(21)23-17(16)14-9-11-15(12-10-14)20(4,5)6/h9-12H,7-8H2,1-6H3,(H2,21,22,23)
InChIKeyZOTPEORSJXFVNY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide

2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide (PubChem CID 54853967) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
PubChem CID54853967
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N4O/c1-7-24(8-2)18(25)16-13(3)22-19(21)23-17(16)14-9-11-15(12-10-14)20(4,5)6/h9-12H,7-8H2,1-6H3,(H2,21,22,23)
InChIKeyZOTPEORSJXFVNY-UHFFFAOYSA-N
XLogP3.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54854084
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
CID 54853965
2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
CID 54853672
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide (CID 54853967) is 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is ZOTPEORSJXFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-7-24(8-2)18(25)16-13(3)22-19(21)23-17(16)14-9-11-15(12-10-14)20(4,5)6/h9-12H,7-8H2,1-6H3,(H2,21,22,23).
What are the key properties of 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).