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

C11H13F3N6O — CID 106424455

IUPAC6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nc(C)no2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c1-6-17-9(21-20-6)3-4-16-8-5-7(15-2)18-10(19-8)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18,19)
InChIKeyOFSCPVJZGNXSGZ-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.88
Rot. Bonds5

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

6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106424455) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106424455
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nc(C)no2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c1-6-17-9(21-20-6)3-4-16-8-5-7(15-2)18-10(19-8)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18,19)
InChIKeyOFSCPVJZGNXSGZ-UHFFFAOYSA-N
XLogP1.88
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106418688
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106424455) is 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCCc2nc(C)no2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is OFSCPVJZGNXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-6-17-9(21-20-6)3-4-16-8-5-7(15-2)18-10(19-8)11(12,13)14/h5H,3-4H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 302.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106424455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).