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

C16H22N6O2S — CID 137417723

IUPAC4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc(N)c2)n1
InChIInChI=1S/C16H22N6O2S/c1-11-10-24-7-6-22(11)15-9-14(21-25(2,3)23)19-16(20-15)12-4-5-18-13(17)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,17,18)/t11-/m1/s1
InChIKeyPKULMPKZJZFMMT-LLVKDONJSA-N
MW362.46 g/mol
LogP1.71
Rot. Bonds3

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

4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 137417723) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
PubChem CID137417723
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc(N)c2)n1
InChIInChI=1S/C16H22N6O2S/c1-11-10-24-7-6-22(11)15-9-14(21-25(2,3)23)19-16(20-15)12-4-5-18-13(17)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,17,18)/t11-/m1/s1
InChIKeyPKULMPKZJZFMMT-LLVKDONJSA-N
XLogP1.71
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine (CID 137417723) is 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc(N)c2)n1.
What is the InChIKey of 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is PKULMPKZJZFMMT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-11-10-24-7-6-22(11)15-9-14(21-25(2,3)23)19-16(20-15)12-4-5-18-13(17)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,17,18)/t11-/m1/s1.
What are the key properties of 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine?
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 362.46 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 137417723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).