4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine

C14H14F3N3O — CID 133347689

IUPAC4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cccc(CCC(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-21-12-6-8-18-13(20-12)19-11-4-2-3-10(9-11)5-7-14(15,16)17/h2-4,6,8-9H,5,7H2,1H3,(H,18,19,20)
InChIKeyZASHYSRESZMRDJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.72
Rot. Bonds5

About 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine

4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine (PubChem CID 133347689) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
PubChem CID133347689
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cccc(CCC(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-21-12-6-8-18-13(20-12)19-11-4-2-3-10(9-11)5-7-14(15,16)17/h2-4,6,8-9H,5,7H2,1H3,(H,18,19,20)
InChIKeyZASHYSRESZMRDJ-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
CID 133285444
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
5-nitro-2-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidine-2,4-diamine
CID 133347703
N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586478
N-(4-methoxypyrimidin-2-yl)-2,3-dimethylquinoxalin-6-amine
CID 170512498
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine (CID 133347689) is 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine is COc1ccnc(Nc2cccc(CCC(F)(F)F)c2)n1.
What is the InChIKey of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine?
The InChIKey is ZASHYSRESZMRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-12-6-8-18-13(20-12)19-11-4-2-3-10(9-11)5-7-14(15,16)17/h2-4,6,8-9H,5,7H2,1H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine?
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 133347689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).