8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine

C20H20N8 — CID 142780299

IUPAC8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine
SMILESCCc1cccc(-c2nc(N)nc3c2nc(-c2ccnc(N)n2)n3C2CC2)c1
InChIInChI=1S/C20H20N8/c1-2-11-4-3-5-12(10-11)15-16-18(27-20(22)26-15)28(13-6-7-13)17(25-16)14-8-9-23-19(21)24-14/h3-5,8-10,13H,2,6-7H2,1H3,(H2,21,23,24)(H2,22,26,27)
InChIKeyIPSRFCHCZUJXNK-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.01
Rot. Bonds4

About 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine

8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine (PubChem CID 142780299) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine
PubChem CID142780299
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine
SMILESCCc1cccc(-c2nc(N)nc3c2nc(-c2ccnc(N)n2)n3C2CC2)c1
InChIInChI=1S/C20H20N8/c1-2-11-4-3-5-12(10-11)15-16-18(27-20(22)26-15)28(13-6-7-13)17(25-16)14-8-9-23-19(21)24-14/h3-5,8-10,13H,2,6-7H2,1H3,(H2,21,23,24)(H2,22,26,27)
InChIKeyIPSRFCHCZUJXNK-UHFFFAOYSA-N
XLogP3.01
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine (CID 142780299) is 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine is CCc1cccc(-c2nc(N)nc3c2nc(-c2ccnc(N)n2)n3C2CC2)c1.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine?
The InChIKey is IPSRFCHCZUJXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-2-11-4-3-5-12(10-11)15-16-18(27-20(22)26-15)28(13-6-7-13)17(25-16)14-8-9-23-19(21)24-14/h3-5,8-10,13H,2,6-7H2,1H3,(H2,21,23,24)(H2,22,26,27).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine?
8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine has a molecular weight of 372.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine is sourced from PubChem (CID 142780299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).