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

C17H18N6 — CID 50983350

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
SMILESc1ccc(N2CCc3nc(NCCc4cnc[nH]4)ncc32)cc1
InChIInChI=1S/C17H18N6/c1-2-4-14(5-3-1)23-9-7-15-16(23)11-20-17(22-15)19-8-6-13-10-18-12-21-13/h1-5,10-12H,6-9H2,(H,18,21)(H,19,20,22)
InChIKeyKVFGLVZOKXCGKX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.55
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 50983350) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID50983350
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
SMILESc1ccc(N2CCc3nc(NCCc4cnc[nH]4)ncc32)cc1
InChIInChI=1S/C17H18N6/c1-2-4-14(5-3-1)23-9-7-15-16(23)11-20-17(22-15)19-8-6-13-10-18-12-21-13/h1-5,10-12H,6-9H2,(H,18,21)(H,19,20,22)
InChIKeyKVFGLVZOKXCGKX-UHFFFAOYSA-N
XLogP2.55
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine (CID 50983350) is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine is c1ccc(N2CCc3nc(NCCc4cnc[nH]4)ncc32)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is KVFGLVZOKXCGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-4-14(5-3-1)23-9-7-15-16(23)11-20-17(22-15)19-8-6-13-10-18-12-21-13/h1-5,10-12H,6-9H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 50983350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).