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

C14H21N5OS — CID 63304593

IUPAC7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1nn2c(=O)cc(C)nc2s1)C1CCNC1
InChIInChI=1S/C14H21N5OS/c1-3-6-18(11-4-5-15-8-11)9-12-17-19-13(20)7-10(2)16-14(19)21-12/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyWAXUWDFGWGWUMF-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.03
Rot. Bonds5

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

7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 63304593) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID63304593
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1nn2c(=O)cc(C)nc2s1)C1CCNC1
InChIInChI=1S/C14H21N5OS/c1-3-6-18(11-4-5-15-8-11)9-12-17-19-13(20)7-10(2)16-14(19)21-12/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyWAXUWDFGWGWUMF-UHFFFAOYSA-N
XLogP1.03
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120838258
ethyl 3-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]propanoate
CID 62011842
1,3-dimethyl-6-[[propyl(pyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione;hydrochloride
CID 119921569
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 102841648
N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921752
2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)acetic acid;hydrochloride
CID 75539412
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
2-[(3-hydroxypyrrolidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 62917529

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 63304593) is 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCN(Cc1nn2c(=O)cc(C)nc2s1)C1CCNC1.
What is the InChIKey of 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WAXUWDFGWGWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-6-18(11-4-5-15-8-11)9-12-17-19-13(20)7-10(2)16-14(19)21-12/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 63304593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).