6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

C17H17N5O2 — CID 19144708

IUPAC6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ncccc3C)c2N)cc1
InChIInChI=1S/C17H17N5O2/c1-11-4-3-9-19-15(11)22-16-14(18)17(21-10-20-16)24-13-7-5-12(23-2)6-8-13/h3-10H,18H2,1-2H3,(H,19,20,21,22)
InChIKeyUDTJJTYBNVYMCX-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.31
Rot. Bonds5

About 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine

6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19144708) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19144708
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(Nc3ncccc3C)c2N)cc1
InChIInChI=1S/C17H17N5O2/c1-11-4-3-9-19-15(11)22-16-14(18)17(21-10-20-16)24-13-7-5-12(23-2)6-8-13/h3-10H,18H2,1-2H3,(H,19,20,21,22)
InChIKeyUDTJJTYBNVYMCX-UHFFFAOYSA-N
XLogP3.31
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
CID 19142606
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-N-(4-methoxyphenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22527101
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19144708) is 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is COc1ccc(Oc2ncnc(Nc3ncccc3C)c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is UDTJJTYBNVYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-4-3-9-19-15(11)22-16-14(18)17(21-10-20-16)24-13-7-5-12(23-2)6-8-13/h3-10H,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of 6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 323.36 g/mol, XLogP of 3.31, 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-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).