N-(2,5-dimethoxyphenyl)-7H-purin-6-amine

C13H13N5O2 — CID 756650

IUPACN-(2,5-dimethoxyphenyl)-7H-purin-6-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O2/c1-19-8-3-4-10(20-2)9(5-8)18-13-11-12(15-6-14-11)16-7-17-13/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyRLPYPMRNKCEWEK-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.11
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-7H-purin-6-amine

N-(2,5-dimethoxyphenyl)-7H-purin-6-amine (PubChem CID 756650) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-7H-purin-6-amine
PubChem CID756650
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(2,5-dimethoxyphenyl)-7H-purin-6-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O2/c1-19-8-3-4-10(20-2)9(5-8)18-13-11-12(15-6-14-11)16-7-17-13/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyRLPYPMRNKCEWEK-UHFFFAOYSA-N
XLogP2.11
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
2-chloro-N-(2,4-dimethoxyphenyl)-7H-purin-6-amine
CID 104787098
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
6-(2,4-dimethoxyphenyl)sulfanyl-7H-purine
CID 514794
4-methoxy-1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321821
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-7H-purin-6-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-7H-purin-6-amine (CID 756650) is N-(2,5-dimethoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-7H-purin-6-amine is COc1ccc(OC)c(Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-7H-purin-6-amine?
The InChIKey is RLPYPMRNKCEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-19-8-3-4-10(20-2)9(5-8)18-13-11-12(15-6-14-11)16-7-17-13/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-7H-purin-6-amine?
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine has a molecular weight of 271.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).