5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide

C19H25N5O3 — CID 72871754

IUPAC5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)NCCc2nc(C)cc(C)n2)cc1C(=O)N(C)C
InChIInChI=1S/C19H25N5O3/c1-12-10-13(2)22-17(21-12)8-9-20-19(26)23-14-6-7-16(27-5)15(11-14)18(25)24(3)4/h6-7,10-11H,8-9H2,1-5H3,(H2,20,23,26)
InChIKeyZBSCIMWWTIMBEJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.17
Rot. Bonds6

About 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide

5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide (PubChem CID 72871754) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
PubChem CID72871754
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)NCCc2nc(C)cc(C)n2)cc1C(=O)N(C)C
InChIInChI=1S/C19H25N5O3/c1-12-10-13(2)22-17(21-12)8-9-20-19(26)23-14-6-7-16(27-5)15(11-14)18(25)24(3)4/h6-7,10-11H,8-9H2,1-5H3,(H2,20,23,26)
InChIKeyZBSCIMWWTIMBEJ-UHFFFAOYSA-N
XLogP2.17
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
1-[4-(aminomethyl)phenyl]-3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]urea
CID 72845678
5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 74248773
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 131910828
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 131925260
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
5-(cyclobutanecarbonylamino)-2-methoxy-N,N-dimethylbenzamide
CID 131935340
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 91917595
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476
2-[(4-methoxy-3-methoxycarbonylphenyl)carbamoylamino]ethanesulfonic acid
CID 58572121
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 131933497

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide (CID 72871754) is 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide is COc1ccc(NC(=O)NCCc2nc(C)cc(C)n2)cc1C(=O)N(C)C.
What is the InChIKey of 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is ZBSCIMWWTIMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-10-13(2)22-17(21-12)8-9-20-19(26)23-14-6-7-16(27-5)15(11-14)18(25)24(3)4/h6-7,10-11H,8-9H2,1-5H3,(H2,20,23,26).
What are the key properties of 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 72871754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).