6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide

C22H25N5O — CID 112853626

IUPAC6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCN(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-16-9-11-18(12-10-16)24-22(28)19-15-20(23-13-14-27(2)3)26-21(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyMZBKSFISNMWPKI-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.68
Rot. Bonds7

About 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853626) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853626
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCN(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-16-9-11-18(12-10-16)24-22(28)19-15-20(23-13-14-27(2)3)26-21(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyMZBKSFISNMWPKI-UHFFFAOYSA-N
XLogP3.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
CID 70794750
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
3-[[2-[[6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carbonyl]amino]benzoyl]amino]propanoic acid
CID 42603279
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
N-(3-chloro-4-methylphenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852047
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide (CID 112853626) is 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCCN(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MZBKSFISNMWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-9-11-18(12-10-16)24-22(28)19-15-20(23-13-14-27(2)3)26-21(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).