N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C23H27N5O — CID 109336503

IUPACN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H27N5O/c1-15(2)19-8-6-7-9-20(19)26-23-24-16(3)14-21(27-23)22(29)25-17-10-12-18(13-11-17)28(4)5/h6-15H,1-5H3,(H,25,29)(H,24,26,27)
InChIKeyRHJYBHWTCKHQSA-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.97
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109336503) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109336503
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H27N5O/c1-15(2)19-8-6-7-9-20(19)26-23-24-16(3)14-21(27-23)22(29)25-17-10-12-18(13-11-17)28(4)5/h6-15H,1-5H3,(H,25,29)(H,24,26,27)
InChIKeyRHJYBHWTCKHQSA-UHFFFAOYSA-N
XLogP4.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109337344
2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109336526
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424
6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109327509
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336621

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109336503) is N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is RHJYBHWTCKHQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)19-8-6-7-9-20(19)26-23-24-16(3)14-21(27-23)22(29)25-17-10-12-18(13-11-17)28(4)5/h6-15H,1-5H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).