2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H15F3N6O — CID 133497999

IUPAC2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C13H15F3N6O/c1-22(2)9-5-8(13(14,15)16)18-12(19-9)17-6-10-20-21-11(23-10)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyNZSVDNOXLTXRSD-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.43
Rot. Bonds5

About 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133497999) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133497999
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C13H15F3N6O/c1-22(2)9-5-8(13(14,15)16)18-12(19-9)17-6-10-20-21-11(23-10)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyNZSVDNOXLTXRSD-UHFFFAOYSA-N
XLogP2.43
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133497999) is 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1cc(C(F)(F)F)nc(NCc2nnc(C3CC3)o2)n1.
What is the InChIKey of 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NZSVDNOXLTXRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-22(2)9-5-8(13(14,15)16)18-12(19-9)17-6-10-20-21-11(23-10)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 328.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133497999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).