N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

C19H26N4O — CID 112846721

IUPACN-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-6-7-11-20-18-12-17(21-15(4)22-18)19(24)23-16-10-8-9-13(2)14(16)3/h8-10,12H,5-7,11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyVRSYCEIOMJGHCQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.26
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 112846721) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID112846721
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-6-7-11-20-18-12-17(21-15(4)22-18)19(24)23-16-10-8-9-13(2)14(16)3/h8-10,12H,5-7,11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyVRSYCEIOMJGHCQ-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.26
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-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (CID 112846721) is N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is VRSYCEIOMJGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-7-11-20-18-12-17(21-15(4)22-18)19(24)23-16-10-8-9-13(2)14(16)3/h8-10,12H,5-7,11H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).