3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide

C18H21N7O — CID 118775753

IUPAC3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCn1cnnc1CCNC(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C18H21N7O/c1-3-25-11-21-24-16(25)7-8-20-17(26)14-6-4-5-13(10-14)15-9-12(2)22-18(19)23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,26)(H2,19,22,23)
InChIKeyPBXLEDAAOMWUDD-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.62
Rot. Bonds6

About 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide

3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 118775753) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID118775753
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCn1cnnc1CCNC(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C18H21N7O/c1-3-25-11-21-24-16(25)7-8-20-17(26)14-6-4-5-13(10-14)15-9-12(2)22-18(19)23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,26)(H2,19,22,23)
InChIKeyPBXLEDAAOMWUDD-UHFFFAOYSA-N
XLogP1.62
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46987909
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 118783405
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
CID 118765988
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56884659
3-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126425555
7-chloro-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]quinoline-2-carboxamide
CID 71923020
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 118793940
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
CID 103813824
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 86906254

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 118775753) is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide is CCn1cnnc1CCNC(=O)c1cccc(-c2cc(C)nc(N)n2)c1.
What is the InChIKey of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is PBXLEDAAOMWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-3-25-11-21-24-16(25)7-8-20-17(26)14-6-4-5-13(10-14)15-9-12(2)22-18(19)23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,26)(H2,19,22,23).
What are the key properties of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 118775753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).