N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine

C17H15N7O — CID 108778059

IUPACN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine
SMILESCc1cc(C)nc(Oc2cccc(Nc3ncnc4nc[nH]c34)c2)n1
InChIInChI=1S/C17H15N7O/c1-10-6-11(2)23-17(22-10)25-13-5-3-4-12(7-13)24-16-14-15(19-8-18-14)20-9-21-16/h3-9H,1-2H3,(H2,18,19,20,21,24)
InChIKeyULMKQAPGRKPDNE-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.30
Rot. Bonds4

About N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine

N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine (PubChem CID 108778059) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine
PubChem CID108778059
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine
SMILESCc1cc(C)nc(Oc2cccc(Nc3ncnc4nc[nH]c34)c2)n1
InChIInChI=1S/C17H15N7O/c1-10-6-11(2)23-17(22-10)25-13-5-3-4-12(7-13)24-16-14-15(19-8-18-14)20-9-21-16/h3-9H,1-2H3,(H2,18,19,20,21,24)
InChIKeyULMKQAPGRKPDNE-UHFFFAOYSA-N
XLogP3.30
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-(7H-purin-6-yl)benzene-1,3-diamine
CID 108775233
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836
N-(3-methoxyphenyl)-2-nitro-7H-purin-6-amine
CID 25169481
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321893
5-[(4-chlorophenyl)methyl]-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 108778080
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
CID 108772051
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
CID 69033546

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine (CID 108778059) is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine is Cc1cc(C)nc(Oc2cccc(Nc3ncnc4nc[nH]c34)c2)n1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine?
The InChIKey is ULMKQAPGRKPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10-6-11(2)23-17(22-10)25-13-5-3-4-12(7-13)24-16-14-15(19-8-18-14)20-9-21-16/h3-9H,1-2H3,(H2,18,19,20,21,24).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine?
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine has a molecular weight of 333.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine is sourced from PubChem (CID 108778059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).