1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine

C15H17F2N3O — CID 63272979

IUPAC1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)C)ncc1Oc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O/c1-9(2)15-19-8-14(12(20-15)7-18-3)21-13-6-10(16)4-5-11(13)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyVAVOLLGXWMZJIP-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.39
Rot. Bonds5

About 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine

1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 63272979) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID63272979
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)C)ncc1Oc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O/c1-9(2)15-19-8-14(12(20-15)7-18-3)21-13-6-10(16)4-5-11(13)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyVAVOLLGXWMZJIP-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297509
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine (CID 63272979) is 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine is CNCc1nc(C(C)C)ncc1Oc1cc(F)ccc1F.
What is the InChIKey of 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is VAVOLLGXWMZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9(2)15-19-8-14(12(20-15)7-18-3)21-13-6-10(16)4-5-11(13)17/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 293.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63272979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).