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

C12H14F3N5O — CID 106378633

IUPAC6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)NCC2=NC=C(O2)C
InChIInChI=1S/C12H14F3N5O/c1-3-16-8-4-9(20-11(19-8)12(13,14)15)17-6-10-18-5-7(2)21-10/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyNSHVNSYPLDGMRL-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.50
Rot. Bonds5

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

6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106378633) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106378633
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)NCC2=NC=C(O2)C
InChIInChI=1S/C12H14F3N5O/c1-3-16-8-4-9(20-11(19-8)12(13,14)15)17-6-10-18-5-7(2)21-10/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyNSHVNSYPLDGMRL-UHFFFAOYSA-N
XLogP2.50
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 86797758
1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106378633) is 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNC1=CC(=NC(=N1)C(F)(F)F)NCC2=NC=C(O2)C.
What is the InChIKey of 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is NSHVNSYPLDGMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-3-16-8-4-9(20-11(19-8)12(13,14)15)17-6-10-18-5-7(2)21-10/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 301.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106378633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).