9-ethyl-1,4-dihydropurin-6-amine

C7H11N5 — CID 5185850

IUPAC9-ethyl-1,4-dihydropurin-6-amine
SMILESCCN1C=NC2=C(N)NC=NC21
InChIInChI=1S/C7H11N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4,7H,2,8H2,1H3,(H,9,10)
InChIKeyCVHGJJUNIQONAM-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.56
Rot. Bonds1

About 9-ethyl-1,4-dihydropurin-6-amine

9-ethyl-1,4-dihydropurin-6-amine (PubChem CID 5185850) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 9-ethyl-1,4-dihydropurin-6-amine.

Molecular Properties

Compound Name9-ethyl-1,4-dihydropurin-6-amine
PubChem CID5185850
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name9-ethyl-1,4-dihydropurin-6-amine
SMILESCCN1C=NC2=C(N)NC=NC21
InChIInChI=1S/C7H11N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4,7H,2,8H2,1H3,(H,9,10)
InChIKeyCVHGJJUNIQONAM-UHFFFAOYSA-N
XLogP-0.56
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-Methyl-1,2,3,4-tetrahydropurin-6-amine
CID 171344344
6-Tetrahydro-6-amino purine
CID 153966157
4-Methyladenine
CID 123132015
(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
CID 126756043
N-[(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-yl]methanimine
CID 137483626
Oiifxublbzlxnv-uhfffaoysa-
CID 23262607
4,7-dihydro-1H-purin-6-amine
CID 55284895
6,7,8,9-tetrahydro-3H-purine
CID 57306527
2-methyl-2,3,4,7-tetrahydro-1H-purine
CID 67427436
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
2,9-Dimethyl-1,4-dihydropurin-6-amine
CID 121285719
[5-(Dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium
CID 123788079

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,4-dihydropurin-6-amine?
The IUPAC name of 9-ethyl-1,4-dihydropurin-6-amine (CID 5185850) is 9-ethyl-1,4-dihydropurin-6-amine.
What is the SMILES notation for 9-ethyl-1,4-dihydropurin-6-amine?
The canonical SMILES for 9-ethyl-1,4-dihydropurin-6-amine is CCN1C=NC2=C(N)NC=NC21.
What is the InChIKey of 9-ethyl-1,4-dihydropurin-6-amine?
The InChIKey is CVHGJJUNIQONAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4,7H,2,8H2,1H3,(H,9,10).
What are the key properties of 9-ethyl-1,4-dihydropurin-6-amine?
9-ethyl-1,4-dihydropurin-6-amine has a molecular weight of 165.20 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,4-dihydropurin-6-amine is sourced from PubChem (CID 5185850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).