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

C12H14F3N5S — CID 106771926

IUPAC6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-2-16-8-7-9(20-11(19-8)12(13,14)15)17-4-3-10-18-5-6-21-10/h5-7H,2-4H2,1H3,(H2,16,17,19,20)
InChIKeyMBXRTNPJPLEZME-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.04
Rot. Bonds6

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

6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771926) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771926
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-2-16-8-7-9(20-11(19-8)12(13,14)15)17-4-3-10-18-5-6-21-10/h5-7H,2-4H2,1H3,(H2,16,17,19,20)
InChIKeyMBXRTNPJPLEZME-UHFFFAOYSA-N
XLogP3.04
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942872
6-N-ethyl-4-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771223
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769719
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771926) is 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MBXRTNPJPLEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-2-16-8-7-9(20-11(19-8)12(13,14)15)17-4-3-10-18-5-6-21-10/h5-7H,2-4H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 317.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).