5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

C16H20N8OS — CID 52938639

IUPAC5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2nccs2)CCO1
InChIInChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)
InChIKeySMDPEIURVQYVLR-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.04
Rot. Bonds5

About 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 52938639) has the molecular formula C16H20N8OS and a molecular weight of 372.46 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID52938639
Molecular FormulaC16H20N8OS
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Name5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2nccs2)CCO1
InChIInChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)
InChIKeySMDPEIURVQYVLR-UHFFFAOYSA-N
XLogP1.04
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 52938639) is 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2nccs2)CCO1.
What is the InChIKey of 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SMDPEIURVQYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20).
What are the key properties of 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 372.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 52938639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).