N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide

C16H20N4O2 — CID 91966955

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-15(20(2)3)19-14(18-11)10-17-16(21)12-7-5-6-8-13(12)22-4/h5-9H,10H2,1-4H3,(H,17,21)
InChIKeyYCEKRECWYZTNNJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.79
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 91966955) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID91966955
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-15(20(2)3)19-14(18-11)10-17-16(21)12-7-5-6-8-13(12)22-4/h5-9H,10H2,1-4H3,(H,17,21)
InChIKeyYCEKRECWYZTNNJ-UHFFFAOYSA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313
1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea
CID 121137192
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-nitrobenzamide
CID 122322439
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide
CID 122322338
5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
CID 122322208
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
CID 71796955
(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 122322339
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]acetamide
CID 91966973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide (CID 91966955) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1nc(C)cc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is YCEKRECWYZTNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-15(20(2)3)19-14(18-11)10-17-16(21)12-7-5-6-8-13(12)22-4/h5-9H,10H2,1-4H3,(H,17,21).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 91966955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).