N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine

C19H19FN4O — CID 133316163

IUPACN-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCCN(c1nccc(Oc2ccc(F)cc2)n1)C(C)c1cccnc1
InChIInChI=1S/C19H19FN4O/c1-3-24(14(2)15-5-4-11-21-13-15)19-22-12-10-18(23-19)25-17-8-6-16(20)7-9-17/h4-14H,3H2,1-2H3
InChIKeyPUDWMGAHZJVJEU-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.39
Rot. Bonds6

About N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine

N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 133316163) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID133316163
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCCN(c1nccc(Oc2ccc(F)cc2)n1)C(C)c1cccnc1
InChIInChI=1S/C19H19FN4O/c1-3-24(14(2)15-5-4-11-21-13-15)19-22-12-10-18(23-19)25-17-8-6-16(20)7-9-17/h4-14H,3H2,1-2H3
InChIKeyPUDWMGAHZJVJEU-UHFFFAOYSA-N
XLogP4.39
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
CID 56575410
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]propanenitrile
CID 133370504
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
CID 141073183
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 56575420
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
CID 56575603
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 112636707
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine (CID 133316163) is N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine is CCN(c1nccc(Oc2ccc(F)cc2)n1)C(C)c1cccnc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is PUDWMGAHZJVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-3-24(14(2)15-5-4-11-21-13-15)19-22-12-10-18(23-19)25-17-8-6-16(20)7-9-17/h4-14H,3H2,1-2H3.
What are the key properties of N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 133316163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).