3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide

C14H16N4O2 — CID 50983438

IUPAC3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNc2cc(OC)ncn2)c1
InChIInChI=1S/C14H16N4O2/c1-15-14(19)11-5-3-4-10(6-11)8-16-12-7-13(20-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyGKSVACKKDCZUCX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.46
Rot. Bonds5

About 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide

3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide (PubChem CID 50983438) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
PubChem CID50983438
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNc2cc(OC)ncn2)c1
InChIInChI=1S/C14H16N4O2/c1-15-14(19)11-5-3-4-10(6-11)8-16-12-7-13(20-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyGKSVACKKDCZUCX-UHFFFAOYSA-N
XLogP1.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297094
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
3-ethyl-N-methylbenzamide
CID 59115297

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide (CID 50983438) is 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNc2cc(OC)ncn2)c1.
What is the InChIKey of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is GKSVACKKDCZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-15-14(19)11-5-3-4-10(6-11)8-16-12-7-13(20-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 272.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 50983438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).