dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane

C14H20N6O2S — CID 137417906

IUPACdimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C14H20N6O2S/c1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyWZGTWKFQZPSDFL-SNVBAGLBSA-N
MW336.42 g/mol
LogP1.45
Rot. Bonds3

About dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane

dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 137417906) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID137417906
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Namedimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1
InChIInChI=1S/C14H20N6O2S/c1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyWZGTWKFQZPSDFL-SNVBAGLBSA-N
XLogP1.45
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 137417906) is dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1.
What is the InChIKey of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is WZGTWKFQZPSDFL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane has a molecular weight of 336.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 137417906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).