[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone

C15H20ClN7O — CID 56821146

IUPAC[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCCCCN(C)c1ncc(Cl)c(C(=O)N2CCCn3ncnc32)n1
InChIInChI=1S/C15H20ClN7O/c1-3-4-6-21(2)14-17-9-11(16)12(20-14)13(24)22-7-5-8-23-15(22)18-10-19-23/h9-10H,3-8H2,1-2H3
InChIKeyXCSBGYXLJHCGIK-UHFFFAOYSA-N
MW349.83 g/mol
LogP2.01
Rot. Bonds5

About [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone

[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone (PubChem CID 56821146) has the molecular formula C15H20ClN7O and a molecular weight of 349.83 g/mol. Its IUPAC name is [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
PubChem CID56821146
Molecular FormulaC15H20ClN7O
Molecular Weight349.83 g/mol
Exact Mass349.14
IUPAC Name[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCCCCN(C)c1ncc(Cl)c(C(=O)N2CCCn3ncnc32)n1
InChIInChI=1S/C15H20ClN7O/c1-3-4-6-21(2)14-17-9-11(16)12(20-14)13(24)22-7-5-8-23-15(22)18-10-19-23/h9-10H,3-8H2,1-2H3
InChIKeyXCSBGYXLJHCGIK-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The IUPAC name of [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone (CID 56821146) is [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone.
What is the SMILES notation for [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The canonical SMILES for [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone is CCCCN(C)c1ncc(Cl)c(C(=O)N2CCCn3ncnc32)n1.
What is the InChIKey of [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The InChIKey is XCSBGYXLJHCGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O/c1-3-4-6-21(2)14-17-9-11(16)12(20-14)13(24)22-7-5-8-23-15(22)18-10-19-23/h9-10H,3-8H2,1-2H3.
What are the key properties of [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone has a molecular weight of 349.83 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone is sourced from PubChem (CID 56821146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).