(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

C16H22ClN3O3S2 — CID 164581416

IUPAC(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1sc2c(N3CCOC[C@H]3C)nc(Cl)nc2c1C(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H22ClN3O3S2/c1-9-8-23-7-6-20(9)14-13-12(18-15(17)19-14)11(10(2)24-13)16(3,4)25(5,21)22/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyFFDDZFZCPVQGEJ-SECBINFHSA-N
MW403.96 g/mol
LogP3.16
Rot. Bonds3

About (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 164581416) has the molecular formula C16H22ClN3O3S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID164581416
Molecular FormulaC16H22ClN3O3S2
Molecular Weight403.96 g/mol
Exact Mass403.08
IUPAC Name(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1sc2c(N3CCOC[C@H]3C)nc(Cl)nc2c1C(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H22ClN3O3S2/c1-9-8-23-7-6-20(9)14-13-12(18-15(17)19-14)11(10(2)24-13)16(3,4)25(5,21)22/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyFFDDZFZCPVQGEJ-SECBINFHSA-N
XLogP3.16
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-chloro-4-[(3R)-3-methylmorpholin-4-yl]-7-(1-methylsulfonylethyl)thieno[3,2-d]pyrimidine-6-carboxylate
CID 164581460
N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide
CID 172825803
2-[4-[[2-chloro-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 87336767
(3R)-4-[2-chloro-7-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581544
4-(2-chloro-7-nitrothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 175333259
(3R)-4-[2-chloro-7-(sulfonylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175769929
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
(3S)-4-(2-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829517
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (CID 164581416) is (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is Cc1sc2c(N3CCOC[C@H]3C)nc(Cl)nc2c1C(C)(C)S(C)(=O)=O.
What is the InChIKey of (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is FFDDZFZCPVQGEJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H22ClN3O3S2/c1-9-8-23-7-6-20(9)14-13-12(18-15(17)19-14)11(10(2)24-13)16(3,4)25(5,21)22/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 403.96 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 164581416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).