N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide

C15H21ClN4O3S2 — CID 172825803

IUPACN-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1csc2c(N3CCOC[C@H]3C)nc(Cl)nc12)S(C)(=O)=O
InChIInChI=1S/C15H21ClN4O3S2/c1-9(2)20(25(4,21)22)11-8-24-13-12(11)17-15(16)18-14(13)19-5-6-23-7-10(19)3/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyUVPGBAJUCHSOBV-SNVBAGLBSA-N
MW404.95 g/mol
LogP2.74
Rot. Bonds4

About N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide

N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 172825803) has the molecular formula C15H21ClN4O3S2 and a molecular weight of 404.95 g/mol. Its IUPAC name is N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide
PubChem CID172825803
Molecular FormulaC15H21ClN4O3S2
Molecular Weight404.95 g/mol
Exact Mass404.07
IUPAC NameN-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1csc2c(N3CCOC[C@H]3C)nc(Cl)nc12)S(C)(=O)=O
InChIInChI=1S/C15H21ClN4O3S2/c1-9(2)20(25(4,21)22)11-8-24-13-12(11)17-15(16)18-14(13)19-5-6-23-7-10(19)3/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyUVPGBAJUCHSOBV-SNVBAGLBSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
methyl 2-chloro-4-[(3R)-3-methylmorpholin-4-yl]-7-(1-methylsulfonylethyl)thieno[3,2-d]pyrimidine-6-carboxylate
CID 164581460
(3R)-4-[2-chloro-6-methyl-7-(2-methylsulfonylpropan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581416
(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
(3S)-4-(2-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829517
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
CID 166756211
(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
CID 58222500

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide (CID 172825803) is N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide is CC(C)N(c1csc2c(N3CCOC[C@H]3C)nc(Cl)nc12)S(C)(=O)=O.
What is the InChIKey of N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is UVPGBAJUCHSOBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21ClN4O3S2/c1-9(2)20(25(4,21)22)11-8-24-13-12(11)17-15(16)18-14(13)19-5-6-23-7-10(19)3/h8-10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide?
N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 404.95 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3R)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-7-yl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 172825803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).