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

C13H13F2N3O — CID 66324768

IUPACN-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C13H13F2N3O/c1-19-13-7-12(17-8-18-13)16-3-2-9-4-10(14)6-11(15)5-9/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyPFBDCOPDPHRZKX-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.42
Rot. Bonds5

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

N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 66324768) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID66324768
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C13H13F2N3O/c1-19-13-7-12(17-8-18-13)16-3-2-9-4-10(14)6-11(15)5-9/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyPFBDCOPDPHRZKX-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine (CID 66324768) is N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NCCc2cc(F)cc(F)c2)ncn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is PFBDCOPDPHRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-19-13-7-12(17-8-18-13)16-3-2-9-4-10(14)6-11(15)5-9/h4-8H,2-3H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 265.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66324768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).