5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

C18H23N9 — CID 70690957

IUPAC5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1cnc(N2CC[C@@H](Cn3nnc4c(N)nc(C5CC5)nc43)C2)nc1
InChIInChI=1S/C18H23N9/c1-2-11-7-20-18(21-8-11)26-6-5-12(9-26)10-27-17-14(24-25-27)15(19)22-16(23-17)13-3-4-13/h7-8,12-13H,2-6,9-10H2,1H3,(H2,19,22,23)/t12-/m1/s1
InChIKeyWBPFPTAHQSCXJH-GFCCVEGCSA-N
MW365.45 g/mol
LogP1.56
Rot. Bonds5

About 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70690957) has the molecular formula C18H23N9 and a molecular weight of 365.45 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70690957
Molecular FormulaC18H23N9
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1cnc(N2CC[C@@H](Cn3nnc4c(N)nc(C5CC5)nc43)C2)nc1
InChIInChI=1S/C18H23N9/c1-2-11-7-20-18(21-8-11)26-6-5-12(9-26)10-27-17-14(24-25-27)15(19)22-16(23-17)13-3-4-13/h7-8,12-13H,2-6,9-10H2,1H3,(H2,19,22,23)/t12-/m1/s1
InChIKeyWBPFPTAHQSCXJH-GFCCVEGCSA-N
XLogP1.56
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70690957) is 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is CCc1cnc(N2CC[C@@H](Cn3nnc4c(N)nc(C5CC5)nc43)C2)nc1.
What is the InChIKey of 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WBPFPTAHQSCXJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N9/c1-2-11-7-20-18(21-8-11)26-6-5-12(9-26)10-27-17-14(24-25-27)15(19)22-16(23-17)13-3-4-13/h7-8,12-13H,2-6,9-10H2,1H3,(H2,19,22,23)/t12-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 365.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70690957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).