3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H20N4OS — CID 106613747

IUPAC3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CC3CCCN3)cc(=O)n12
InChIInChI=1S/C14H20N4OS/c1-10-9-20-14-16-12(6-13(19)18(10)14)8-17(2)7-11-4-3-5-15-11/h6,9,11,15H,3-5,7-8H2,1-2H3
InChIKeyKVCBEKACHGSWAS-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.25
Rot. Bonds4

About 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 106613747) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID106613747
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CC3CCCN3)cc(=O)n12
InChIInChI=1S/C14H20N4OS/c1-10-9-20-14-16-12(6-13(19)18(10)14)8-17(2)7-11-4-3-5-15-11/h6,9,11,15H,3-5,7-8H2,1-2H3
InChIKeyKVCBEKACHGSWAS-UHFFFAOYSA-N
XLogP1.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 110881828
7-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51178605
7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106615510
7-[(4-aminopiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908930
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 54900295
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
7-[[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95592870
4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
CID 42948155
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613833
7-[[(3R)-3-ethylpiperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92854225
3-methyl-7-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119914835
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 106613747) is 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)CC3CCCN3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KVCBEKACHGSWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-9-20-14-16-12(6-13(19)18(10)14)8-17(2)7-11-4-3-5-15-11/h6,9,11,15H,3-5,7-8H2,1-2H3.
What are the key properties of 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 106613747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).