N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine

C14H15N5O2 — CID 11529329

IUPACN-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1ccc(CNc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C14H15N5O2/c1-20-10-4-3-9(5-11(10)21-2)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUIPBJXUABCBASK-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.98
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine

N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine (PubChem CID 11529329) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
PubChem CID11529329
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1ccc(CNc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C14H15N5O2/c1-20-10-4-3-9(5-11(10)21-2)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUIPBJXUABCBASK-UHFFFAOYSA-N
XLogP1.98
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123171522
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442
4-methoxy-3-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol
CID 123322677
4-methoxy-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243109
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
2,3,5-trimethoxy-6-[(7H-purin-6-ylamino)methyl]phenol
CID 90450176
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine (CID 11529329) is N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine is COc1ccc(CNc2ncnc3nc[nH]c23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine?
The InChIKey is UIPBJXUABCBASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-20-10-4-3-9(5-11(10)21-2)6-15-13-12-14(17-7-16-12)19-8-18-13/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine?
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine has a molecular weight of 285.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 11529329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).