(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine

C20H20N4OS — CID 100709829

IUPAC(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1cc2c(N3CCOC[C@H]3Cc3c[nH]c4ccccc34)ncnc2s1
InChIInChI=1S/C20H20N4OS/c1-13-8-17-19(22-12-23-20(17)26-13)24-6-7-25-11-15(24)9-14-10-21-18-5-3-2-4-16(14)18/h2-5,8,10,12,15,21H,6-7,9,11H2,1H3/t15-/m1/s1
InChIKeyYKQNPOLTLOYOOP-OAHLLOKOSA-N
MW364.47 g/mol
LogP3.93
Rot. Bonds3

About (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine

(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 100709829) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID100709829
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1cc2c(N3CCOC[C@H]3Cc3c[nH]c4ccccc34)ncnc2s1
InChIInChI=1S/C20H20N4OS/c1-13-8-17-19(22-12-23-20(17)26-13)24-6-7-25-11-15(24)9-14-10-21-18-5-3-2-4-16(14)18/h2-5,8,10,12,15,21H,6-7,9,11H2,1H3/t15-/m1/s1
InChIKeyYKQNPOLTLOYOOP-OAHLLOKOSA-N
XLogP3.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133409128
5,5-dimethyl-2-[3-[(5-methyl-1H-indol-3-yl)methyl]morpholin-4-yl]-4,6-dihydro-1,3-benzothiazol-7-one
CID 11998688
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 138058230
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 100713819
1-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
CID 100713757
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 163049612
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 100709829) is (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine is Cc1cc2c(N3CCOC[C@H]3Cc3c[nH]c4ccccc34)ncnc2s1.
What is the InChIKey of (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is YKQNPOLTLOYOOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-8-17-19(22-12-23-20(17)26-13)24-6-7-25-11-15(24)9-14-10-21-18-5-3-2-4-16(14)18/h2-5,8,10,12,15,21H,6-7,9,11H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine?
(3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 364.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-ylmethyl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 100709829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).