5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine

C15H21N7O2S — CID 137417716

IUPAC5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cnc(N)nc2)n1
InChIInChI=1S/C15H21N7O2S/c1-10-9-24-5-4-22(10)13-6-12(21-25(2,3)23)19-14(20-13)11-7-17-15(16)18-8-11/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyMTYQUDBKQMBSLS-SNVBAGLBSA-N
MW363.45 g/mol
LogP1.10
Rot. Bonds3

About 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine

5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 137417716) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID137417716
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cnc(N)nc2)n1
InChIInChI=1S/C15H21N7O2S/c1-10-9-24-5-4-22(10)13-6-12(21-25(2,3)23)19-14(20-13)11-7-17-15(16)18-8-11/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyMTYQUDBKQMBSLS-SNVBAGLBSA-N
XLogP1.10
TPSA119.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine (CID 137417716) is 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cnc(N)nc2)n1.
What is the InChIKey of 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is MTYQUDBKQMBSLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-10-9-24-5-4-22(10)13-6-12(21-25(2,3)23)19-14(20-13)11-7-17-15(16)18-8-11/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17,18)/t10-/m1/s1.
What are the key properties of 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine?
5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 137417716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).