3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide

C14H17N5O — CID 157018298

IUPAC3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2cccc(C(N)=O)c2)nc1N(C)C
InChIInChI=1S/C14H17N5O/c1-9-8-16-14(18-13(9)19(2)3)17-11-6-4-5-10(7-11)12(15)20/h4-8H,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyQYLXUJMUFRHVSH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.69
Rot. Bonds4

About 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide

3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide (PubChem CID 157018298) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
PubChem CID157018298
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2cccc(C(N)=O)c2)nc1N(C)C
InChIInChI=1S/C14H17N5O/c1-9-8-16-14(18-13(9)19(2)3)17-11-6-4-5-10(7-11)12(15)20/h4-8H,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyQYLXUJMUFRHVSH-UHFFFAOYSA-N
XLogP1.69
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 157019241
3-[[4-[4-[[cyclopropylsulfonyl(methyl)amino]methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzamide
CID 67093965
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157015650
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
3-[[5-methyl-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 66939295
3-[[5-chloro-4-[4-methyl-2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]benzamide
CID 158185750
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one
CID 44594831
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
CID 66841709
2-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-sulfinylacetamide
CID 174488794

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide (CID 157018298) is 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide is Cc1cnc(Nc2cccc(C(N)=O)c2)nc1N(C)C.
What is the InChIKey of 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide?
The InChIKey is QYLXUJMUFRHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-8-16-14(18-13(9)19(2)3)17-11-6-4-5-10(7-11)12(15)20/h4-8H,1-3H3,(H2,15,20)(H,16,17,18).
What are the key properties of 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide?
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 157018298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).