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

C12H14F3N5O — CID 106378905

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2nc(C)c(C)o2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-6-7(2)21-10(18-6)5-17-9-4-8(16-3)19-11(20-9)12(13,14)15/h4H,5H2,1-3H3,(H2,16,17,19,20)
InChIKeyYELSHRQJPMJPHR-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.75
Rot. Bonds4

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

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106378905) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106378905
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2nc(C)c(C)o2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-6-7(2)21-10(18-6)5-17-9-4-8(16-3)19-11(20-9)12(13,14)15/h4H,5H2,1-3H3,(H2,16,17,19,20)
InChIKeyYELSHRQJPMJPHR-UHFFFAOYSA-N
XLogP2.75
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-ethoxypyrimidin-4-amine
CID 86816197
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103826072
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375571
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375578
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375614
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375639
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378482
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378540
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378586
6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378633

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106378905) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2nc(C)c(C)o2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is YELSHRQJPMJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-6-7(2)21-10(18-6)5-17-9-4-8(16-3)19-11(20-9)12(13,14)15/h4H,5H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 301.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106378905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).