[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine

C15H17F2N3O2 — CID 68522251

IUPAC[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
SMILESCC(C)Oc1cc(C(N)c2cncnc2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-9(2)21-13-5-10(3-4-12(13)22-15(16)17)14(18)11-6-19-8-20-7-11/h3-9,14-15H,18H2,1-2H3
InChIKeyKBSDHLBZMKRVFZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.91
Rot. Bonds6

About [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine

[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine (PubChem CID 68522251) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
PubChem CID68522251
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
SMILESCC(C)Oc1cc(C(N)c2cncnc2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-9(2)21-13-5-10(3-4-12(13)22-15(16)17)14(18)11-6-19-8-20-7-11/h3-9,14-15H,18H2,1-2H3
InChIKeyKBSDHLBZMKRVFZ-UHFFFAOYSA-N
XLogP2.91
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine?
The IUPAC name of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine (CID 68522251) is [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine.
What is the SMILES notation for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine?
The canonical SMILES for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine is CC(C)Oc1cc(C(N)c2cncnc2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine?
The InChIKey is KBSDHLBZMKRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(2)21-13-5-10(3-4-12(13)22-15(16)17)14(18)11-6-19-8-20-7-11/h3-9,14-15H,18H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine?
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine has a molecular weight of 309.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 68522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).