N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

C18H21N7O2 — CID 131901816

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(C)n(CCNC(=O)Cc2ccc(-n3nnnc3C)cc2)c(=O)n1
InChIInChI=1S/C18H21N7O2/c1-12-10-13(2)24(18(27)20-12)9-8-19-17(26)11-15-4-6-16(7-5-15)25-14(3)21-22-23-25/h4-7,10H,8-9,11H2,1-3H3,(H,19,26)
InChIKeyKTPXRGKYUIWWED-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.50
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 131901816) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID131901816
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(C)n(CCNC(=O)Cc2ccc(-n3nnnc3C)cc2)c(=O)n1
InChIInChI=1S/C18H21N7O2/c1-12-10-13(2)24(18(27)20-12)9-8-19-17(26)11-15-4-6-16(7-5-15)25-14(3)21-22-23-25/h4-7,10H,8-9,11H2,1-3H3,(H,19,26)
InChIKeyKTPXRGKYUIWWED-UHFFFAOYSA-N
XLogP0.50
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 131901816) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1cc(C)n(CCNC(=O)Cc2ccc(-n3nnnc3C)cc2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is KTPXRGKYUIWWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-10-13(2)24(18(27)20-12)9-8-19-17(26)11-15-4-6-16(7-5-15)25-14(3)21-22-23-25/h4-7,10H,8-9,11H2,1-3H3,(H,19,26).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 131901816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).