7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H20N4OS — CID 166184072

IUPAC7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN(CC3CC3)C(C)C)nc2s1
InChIInChI=1S/C14H20N4OS/c1-9(2)17(7-11-4-5-11)8-12-6-13(19)18-14(15-12)20-10(3)16-18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyIBLRGGGCJAHQFT-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.08
Rot. Bonds5

About 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 166184072) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID166184072
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN(CC3CC3)C(C)C)nc2s1
InChIInChI=1S/C14H20N4OS/c1-9(2)17(7-11-4-5-11)8-12-6-13(19)18-14(15-12)20-10(3)16-18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyIBLRGGGCJAHQFT-UHFFFAOYSA-N
XLogP2.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 166184072) is 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)cc(CN(CC3CC3)C(C)C)nc2s1.
What is the InChIKey of 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IBLRGGGCJAHQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9(2)17(7-11-4-5-11)8-12-6-13(19)18-14(15-12)20-10(3)16-18/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 166184072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).