N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide

C21H23N5O — CID 27537410

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H23N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-15(2)13-19(25-21)26(3)4/h5-13H,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyDNJOYTYMAPCYRD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide (PubChem CID 27537410) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
PubChem CID27537410
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H23N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-15(2)13-19(25-21)26(3)4/h5-13H,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyDNJOYTYMAPCYRD-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
CID 122287247
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
CID 122287408
1-(2-chloro-4-methylphenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]urea
CID 122287231
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide (CID 27537410) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide?
The InChIKey is DNJOYTYMAPCYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-15(2)13-19(25-21)26(3)4/h5-13H,1-4H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 27537410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).