2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C21H21FN4O2 — CID 44528415

IUPAC2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(N2CC(Oc3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H21FN4O2/c1-27-19-5-3-2-4-15(19)12-24-20-10-11-23-21(25-20)26-13-18(14-26)28-17-8-6-16(22)7-9-17/h2-11,18H,12-14H2,1H3,(H,23,24,25)
InChIKeyDGTKQJSBBVWACR-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.50
Rot. Bonds7

About 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 44528415) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID44528415
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(N2CC(Oc3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H21FN4O2/c1-27-19-5-3-2-4-15(19)12-24-20-10-11-23-21(25-20)26-13-18(14-26)28-17-8-6-16(22)7-9-17/h2-11,18H,12-14H2,1H3,(H,23,24,25)
InChIKeyDGTKQJSBBVWACR-UHFFFAOYSA-N
XLogP3.50
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
2,4-Bis anilino pyrimidine deriv. 2
CID 6538986
2,4-Bis anilino pyrimidine deriv. 14
CID 6538997
Nav1.7-IN-2
CID 53348208
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
2-(6-(4-(4-Aminopyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879893
CID 16739512
CID 16739512

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 44528415) is 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ccnc(N2CC(Oc3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DGTKQJSBBVWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-27-19-5-3-2-4-15(19)12-24-20-10-11-23-21(25-20)26-13-18(14-26)28-17-8-6-16(22)7-9-17/h2-11,18H,12-14H2,1H3,(H,23,24,25).
What are the key properties of 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 380.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 44528415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).