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

C14H20N6O2S — CID 136665356

IUPAC4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(C2CC(Nc3nc(N(C)C)ns3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N6O2S/c1-20(2)13-18-14(23-19-13)15-9-4-8(5-9)10-6-12(21)17-11(16-10)7-22-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,18,19)(H,16,17,21)
InChIKeyPFYQDUOAOFRRDG-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.19
Rot. Bonds6

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

4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136665356) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136665356
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(C2CC(Nc3nc(N(C)C)ns3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N6O2S/c1-20(2)13-18-14(23-19-13)15-9-4-8(5-9)10-6-12(21)17-11(16-10)7-22-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,18,19)(H,16,17,21)
InChIKeyPFYQDUOAOFRRDG-UHFFFAOYSA-N
XLogP1.19
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136665356) is 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(C2CC(Nc3nc(N(C)C)ns3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is PFYQDUOAOFRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-20(2)13-18-14(23-19-13)15-9-4-8(5-9)10-6-12(21)17-11(16-10)7-22-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,18,19)(H,16,17,21).
What are the key properties of 4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-[3-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 336.42 g/mol, XLogP of 1.19, 6 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-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136665356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).