8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine

C19H20N8 — CID 24745640

IUPAC8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2cnc(Nc3cc(C)cc(C)c3)nc21
InChIInChI=1S/C19H20N8/c1-4-27-16(14-5-6-21-18(20)25-14)24-15-10-22-19(26-17(15)27)23-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,26)
InChIKeyNUTDEBPDDVELNJ-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.25
Rot. Bonds4

About 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine

8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine (PubChem CID 24745640) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine
PubChem CID24745640
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2cnc(Nc3cc(C)cc(C)c3)nc21
InChIInChI=1S/C19H20N8/c1-4-27-16(14-5-6-21-18(20)25-14)24-15-10-22-19(26-17(15)27)23-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,26)
InChIKeyNUTDEBPDDVELNJ-UHFFFAOYSA-N
XLogP3.25
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.25
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)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine (CID 24745640) is 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine is CCn1c(-c2ccnc(N)n2)nc2cnc(Nc3cc(C)cc(C)c3)nc21.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine?
The InChIKey is NUTDEBPDDVELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-4-27-16(14-5-6-21-18(20)25-14)24-15-10-22-19(26-17(15)27)23-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,26).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine?
8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine has a molecular weight of 360.43 g/mol, XLogP of 3.25, 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)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine is sourced from PubChem (CID 24745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).