4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine

C11H10FN3O2 — CID 779695

IUPAC4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2cc(F)nc(N)n2)cc1
InChIInChI=1S/C11H10FN3O2/c1-16-7-2-4-8(5-3-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyWWBGJYVDCUZMQR-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.00
Rot. Bonds3

About 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine

4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine (PubChem CID 779695) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine
PubChem CID779695
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2cc(F)nc(N)n2)cc1
InChIInChI=1S/C11H10FN3O2/c1-16-7-2-4-8(5-3-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyWWBGJYVDCUZMQR-UHFFFAOYSA-N
XLogP2.00
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4-Chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
CID 748222
Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
CID 10945667
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
2-[2-(2-Fluorophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 1794610
[(4-Methyl-6-phenoxy-2-pyrimidinyl)oxy]acetonitrile
CID 1886522
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
4-(2-Fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 2218394
2-{[2-(4-Methoxyphenoxy)ethyl]thio}-4,6-pyrimidinediamine
CID 2293488

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine (CID 779695) is 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine is COc1ccc(Oc2cc(F)nc(N)n2)cc1.
What is the InChIKey of 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine?
The InChIKey is WWBGJYVDCUZMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-16-7-2-4-8(5-3-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine?
4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine has a molecular weight of 235.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-methoxyphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 779695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).