5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C15H16N6OS — CID 59829320

IUPAC5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2ccsc12
InChIInChI=1S/C15H16N6OS/c1-9-8-22-4-3-21(9)14-12-11(2-5-23-12)19-13(20-14)10-6-17-15(16)18-7-10/h2,5-7,9H,3-4,8H2,1H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyLHLKYGGPPSWZSW-VIFPVBQESA-N
MW328.40 g/mol
LogP1.96
Rot. Bonds2

About 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 59829320) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID59829320
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2ccsc12
InChIInChI=1S/C15H16N6OS/c1-9-8-22-4-3-21(9)14-12-11(2-5-23-12)19-13(20-14)10-6-17-15(16)18-7-10/h2,5-7,9H,3-4,8H2,1H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyLHLKYGGPPSWZSW-VIFPVBQESA-N
XLogP1.96
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

(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
5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59239620
2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol
CID 67505975
(3S)-4-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine;5-[6-[(3S)-3-methylmorpholin-4-yl]-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
CID 158526466
5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70254737
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide
CID 59829363
4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine
CID 175079402
3-[4-(2-aminopyrimidin-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]azetidine-1-sulfonamide
CID 118444316
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 59829320) is 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2ccsc12.
What is the InChIKey of 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is LHLKYGGPPSWZSW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9-8-22-4-3-21(9)14-12-11(2-5-23-12)19-13(20-14)10-6-17-15(16)18-7-10/h2,5-7,9H,3-4,8H2,1H3,(H2,16,17,18)/t9-/m0/s1.
What are the key properties of 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 328.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59829320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).