4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C16H23N7OS — CID 136665139

IUPAC4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCN(C)c1nsc(NC2CC(c3cc(=O)[nH]c(N4CCCC4)n3)C2)n1
InChIInChI=1S/C16H23N7OS/c1-22(2)15-20-16(25-21-15)17-11-7-10(8-11)12-9-13(24)19-14(18-12)23-5-3-4-6-23/h9-11H,3-8H2,1-2H3,(H,17,20,21)(H,18,19,24)
InChIKeyRLAPSCOXOHNNQI-UHFFFAOYSA-N
MW361.48 g/mol
LogP1.65
Rot. Bonds5

About 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136665139) has the molecular formula C16H23N7OS and a molecular weight of 361.48 g/mol. Its IUPAC name is 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136665139
Molecular FormulaC16H23N7OS
Molecular Weight361.48 g/mol
Exact Mass361.17
IUPAC Name4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCN(C)c1nsc(NC2CC(c3cc(=O)[nH]c(N4CCCC4)n3)C2)n1
InChIInChI=1S/C16H23N7OS/c1-22(2)15-20-16(25-21-15)17-11-7-10(8-11)12-9-13(24)19-14(18-12)23-5-3-4-6-23/h9-11H,3-8H2,1-2H3,(H,17,20,21)(H,18,19,24)
InChIKeyRLAPSCOXOHNNQI-UHFFFAOYSA-N
XLogP1.65
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136665356
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide
CID 136665323
2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide
CID 136664836
2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881815
4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 137248018
2-(methoxymethyl)-4-[3-[(3-pyrrolidin-1-ylpyrazin-2-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
CID 136663692
2-(azepan-1-yl)-4-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869579
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891751
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135963374

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136665139) is 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CN(C)c1nsc(NC2CC(c3cc(=O)[nH]c(N4CCCC4)n3)C2)n1.
What is the InChIKey of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RLAPSCOXOHNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7OS/c1-22(2)15-20-16(25-21-15)17-11-7-10(8-11)12-9-13(24)19-14(18-12)23-5-3-4-6-23/h9-11H,3-8H2,1-2H3,(H,17,20,21)(H,18,19,24).
What are the key properties of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 361.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136665139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).