N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine

C12H11F2N3 — CID 107587984

IUPACN-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
SMILESCC(Nc1cncnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3/c1-8(17-10-5-15-7-16-6-10)9-2-3-11(13)12(14)4-9/h2-8,17H,1H3
InChIKeyBVNGXPLNFMDBJN-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.93
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine

N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine (PubChem CID 107587984) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
PubChem CID107587984
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
SMILESCC(Nc1cncnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3/c1-8(17-10-5-15-7-16-6-10)9-2-3-11(13)12(14)4-9/h2-8,17H,1H3
InChIKeyBVNGXPLNFMDBJN-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678568
N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133407621

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine (CID 107587984) is N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine is CC(Nc1cncnc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine?
The InChIKey is BVNGXPLNFMDBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-8(17-10-5-15-7-16-6-10)9-2-3-11(13)12(14)4-9/h2-8,17H,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine?
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine has a molecular weight of 235.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine is sourced from PubChem (CID 107587984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).