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

C13H16F3N5O — CID 133271831

IUPAC2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C13H16F3N5O/c1-7-8(2)22-11(18-7)6-17-12-19-9(13(14,15)16)5-10(20-12)21(3)4/h5H,6H2,1-4H3,(H,17,19,20)
InChIKeyGJAJDCIZDYRNRK-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.78
Rot. Bonds4

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

2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133271831) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133271831
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C13H16F3N5O/c1-7-8(2)22-11(18-7)6-17-12-19-9(13(14,15)16)5-10(20-12)21(3)4/h5H,6H2,1-4H3,(H,17,19,20)
InChIKeyGJAJDCIZDYRNRK-UHFFFAOYSA-N
XLogP2.78
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133271831) is 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)oc1C.
What is the InChIKey of 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GJAJDCIZDYRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-7-8(2)22-11(18-7)6-17-12-19-9(13(14,15)16)5-10(20-12)21(3)4/h5H,6H2,1-4H3,(H,17,19,20).
What are the key properties of 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 315.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133271831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).