N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine

C20H20FN3O3 — CID 56553337

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(Oc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-25-17-8-3-14(13-18(17)26-2)9-11-22-20-23-12-10-19(24-20)27-16-6-4-15(21)5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,24)
InChIKeyUJUIIKPJLFQKEA-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.08
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 56553337) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
PubChem CID56553337
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(Oc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-25-17-8-3-14(13-18(17)26-2)9-11-22-20-23-12-10-19(24-20)27-16-6-4-15(21)5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,24)
InChIKeyUJUIIKPJLFQKEA-UHFFFAOYSA-N
XLogP4.08
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308438
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
4-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894846
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine (CID 56553337) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine is COc1ccc(CCNc2nccc(Oc3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is UJUIIKPJLFQKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-25-17-8-3-14(13-18(17)26-2)9-11-22-20-23-12-10-19(24-20)27-16-6-4-15(21)5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 369.40 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 56553337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).