2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide

C20H28N4O — CID 109320523

IUPAC2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2c(CC)cccc2CC)n1
InChIInChI=1S/C20H28N4O/c1-5-8-12-21-20-22-14(4)13-17(23-20)19(25)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyAJBIXRWKWLHUNO-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.37
Rot. Bonds8

About 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320523) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109320523
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2c(CC)cccc2CC)n1
InChIInChI=1S/C20H28N4O/c1-5-8-12-21-20-22-14(4)13-17(23-20)19(25)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyAJBIXRWKWLHUNO-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
2-(butylamino)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320553
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109320439
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325553
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109320523) is 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)Nc2c(CC)cccc2CC)n1.
What is the InChIKey of 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AJBIXRWKWLHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-8-12-21-20-22-14(4)13-17(23-20)19(25)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).