N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine

C12H10F3N3 — CID 113305702

IUPACN-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
SMILESFc1cc(F)cc(CCNc2cc(F)ncn2)c1
InChIInChI=1S/C12H10F3N3/c13-9-3-8(4-10(14)5-9)1-2-16-12-6-11(15)17-7-18-12/h3-7H,1-2H2,(H,16,17,18)
InChIKeyGNTXNUANHWVVJK-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine

N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine (PubChem CID 113305702) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
PubChem CID113305702
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
SMILESFc1cc(F)cc(CCNc2cc(F)ncn2)c1
InChIInChI=1S/C12H10F3N3/c13-9-3-8(4-10(14)5-9)1-2-16-12-6-11(15)17-7-18-12/h3-7H,1-2H2,(H,16,17,18)
InChIKeyGNTXNUANHWVVJK-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 62615257
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852
2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine
CID 78988905
N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 115416527
6-fluoro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193063
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
CID 106570305
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine (CID 113305702) is N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine is Fc1cc(F)cc(CCNc2cc(F)ncn2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine?
The InChIKey is GNTXNUANHWVVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-9-3-8(4-10(14)5-9)1-2-16-12-6-11(15)17-7-18-12/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine has a molecular weight of 253.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 113305702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).