N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide

C14H16N4O — CID 3233561

IUPACN,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncncc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C14H16N4O/c1-15-13-12(8-16-9-17-13)10-4-6-11(7-5-10)14(19)18(2)3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyKTMIGOVGCCGFHQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide

N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide (PubChem CID 3233561) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide
PubChem CID3233561
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncncc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C14H16N4O/c1-15-13-12(8-16-9-17-13)10-4-6-11(7-5-10)14(19)18(2)3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyKTMIGOVGCCGFHQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-(4-isobutylphenyl)-N-(2-pyrimidinyl)propanamide
CID 4462928
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyrimidin-5-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895816

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide (CID 3233561) is N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide is CNc1ncncc1-c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide?
The InChIKey is KTMIGOVGCCGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-13-12(8-16-9-17-13)10-4-6-11(7-5-10)14(19)18(2)3/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide?
N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 3233561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).