6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

C16H15N5O2 — CID 19147057

IUPAC6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C16H15N5O2/c1-22-11-5-7-12(8-6-11)23-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10H,17H2,1H3,(H,18,19,20,21)
InChIKeyLPHVXGGPUVZDDN-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.00
Rot. Bonds5

About 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (PubChem CID 19147057) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
PubChem CID19147057
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C16H15N5O2/c1-22-11-5-7-12(8-6-11)23-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10H,17H2,1H3,(H,18,19,20,21)
InChIKeyLPHVXGGPUVZDDN-UHFFFAOYSA-N
XLogP3.00
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144708
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138926
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
CID 19142606
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (CID 19147057) is 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is COc1ccc(Oc2ncnc(Nc3ccccn3)c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The InChIKey is LPHVXGGPUVZDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-22-11-5-7-12(8-6-11)23-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10H,17H2,1H3,(H,18,19,20,21).
What are the key properties of 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine has a molecular weight of 309.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19147057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).