N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine

C18H21N7 — CID 50960188

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCn1cnnc1CCNc1ncc2c(n1)CCN2c1ccccc1
InChIInChI=1S/C18H21N7/c1-2-24-13-21-23-17(24)8-10-19-18-20-12-16-15(22-18)9-11-25(16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20,22)
InChIKeyQZMGDZZBZVGVII-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 50960188) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID50960188
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCn1cnnc1CCNc1ncc2c(n1)CCN2c1ccccc1
InChIInChI=1S/C18H21N7/c1-2-24-13-21-23-17(24)8-10-19-18-20-12-16-15(22-18)9-11-25(16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20,22)
InChIKeyQZMGDZZBZVGVII-UHFFFAOYSA-N
XLogP2.44
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine (CID 50960188) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine is CCn1cnnc1CCNc1ncc2c(n1)CCN2c1ccccc1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is QZMGDZZBZVGVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-24-13-21-23-17(24)8-10-19-18-20-12-16-15(22-18)9-11-25(16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20,22).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 335.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 50960188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).