6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide

C23H27N5O — CID 109356508

IUPAC6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-12-13-20(17(3)14-19)26-22-15-21(24-16-25-22)23(29)27(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,24,25,26)
InChIKeyHBKIGGPXYVYHCT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.65
Rot. Bonds7

About 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide

6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356508) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356508
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-12-13-20(17(3)14-19)26-22-15-21(24-16-25-22)23(29)27(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,24,25,26)
InChIKeyHBKIGGPXYVYHCT-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
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

6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109356752
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
2-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]benzonitrile
CID 112867162

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109356508) is 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1.
What is the InChIKey of 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is HBKIGGPXYVYHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-5-28(6-2)19-12-13-20(17(3)14-19)26-22-15-21(24-16-25-22)23(29)27(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,24,25,26).
What are the key properties of 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).