ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C18H29N5O2S — CID 168921452

IUPACethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESCC.Cc1nc2c(N3CCOC[C@H]3C)nc(N3CCOC[C@@H]3C)nc2s1
InChIInChI=1S/C16H23N5O2S.C2H6/c1-10-8-22-6-4-20(10)14-13-15(24-12(3)17-13)19-16(18-14)21-5-7-23-9-11(21)2;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;/m1./s1
InChIKeySAMARJCMBRCNOC-DHXVBOOMSA-N
MW379.53 g/mol
LogP2.87
Rot. Bonds2

About ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 168921452) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Nameethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID168921452
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Nameethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESCC.Cc1nc2c(N3CCOC[C@H]3C)nc(N3CCOC[C@@H]3C)nc2s1
InChIInChI=1S/C16H23N5O2S.C2H6/c1-10-8-22-6-4-20(10)14-13-15(24-12(3)17-13)19-16(18-14)21-5-7-23-9-11(21)2;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;/m1./s1
InChIKeySAMARJCMBRCNOC-DHXVBOOMSA-N
XLogP2.87
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine with MolForge

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Related Compounds

(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 168921681
3-methyl-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133409128
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The IUPAC name of ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 168921452) is ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is CC.Cc1nc2c(N3CCOC[C@H]3C)nc(N3CCOC[C@@H]3C)nc2s1.
What is the InChIKey of ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is SAMARJCMBRCNOC-DHXVBOOMSA-N. The full InChI is InChI=1S/C16H23N5O2S.C2H6/c1-10-8-22-6-4-20(10)14-13-15(24-12(3)17-13)19-16(18-14)21-5-7-23-9-11(21)2;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;/m1./s1.
What are the key properties of ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 379.53 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-methyl-4-[2-methyl-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).