N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide

C10H13N7O2 — CID 121121293

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cncn(CCNC(=O)Cn2cnnn2)c1=O
InChIInChI=1S/C10H13N7O2/c1-8-4-11-6-16(10(8)19)3-2-12-9(18)5-17-7-13-14-15-17/h4,6-7H,2-3,5H2,1H3,(H,12,18)
InChIKeyLYJBKDNVYSVDSW-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.65
Rot. Bonds5

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 121121293) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID121121293
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cncn(CCNC(=O)Cn2cnnn2)c1=O
InChIInChI=1S/C10H13N7O2/c1-8-4-11-6-16(10(8)19)3-2-12-9(18)5-17-7-13-14-15-17/h4,6-7H,2-3,5H2,1H3,(H,12,18)
InChIKeyLYJBKDNVYSVDSW-UHFFFAOYSA-N
XLogP-1.65
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 121121293) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide is Cc1cncn(CCNC(=O)Cn2cnnn2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is LYJBKDNVYSVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-8-4-11-6-16(10(8)19)3-2-12-9(18)5-17-7-13-14-15-17/h4,6-7H,2-3,5H2,1H3,(H,12,18).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 263.26 g/mol, XLogP of -1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 121121293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).