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

C17H21N9O — CID 70684651

IUPAC5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C17H21N9O/c18-15-14-17(22-16(21-15)11-2-3-11)26(24-23-14)9-12-8-25(6-7-27-12)10-13-19-4-1-5-20-13/h1,4-5,11-12H,2-3,6-10H2,(H2,18,21,22)/t12-/m1/s1
InChIKeyHPCORJNAWMFGNF-GFCCVEGCSA-N
MW367.42 g/mol
LogP0.37
Rot. Bonds5

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

5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70684651) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70684651
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C17H21N9O/c18-15-14-17(22-16(21-15)11-2-3-11)26(24-23-14)9-12-8-25(6-7-27-12)10-13-19-4-1-5-20-13/h1,4-5,11-12H,2-3,6-10H2,(H2,18,21,22)/t12-/m1/s1
InChIKeyHPCORJNAWMFGNF-GFCCVEGCSA-N
XLogP0.37
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70684651) is 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ncccn2)CCO1.
What is the InChIKey of 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HPCORJNAWMFGNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N9O/c18-15-14-17(22-16(21-15)11-2-3-11)26(24-23-14)9-12-8-25(6-7-27-12)10-13-19-4-1-5-20-13/h1,4-5,11-12H,2-3,6-10H2,(H2,18,21,22)/t12-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 367.42 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70684651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).