2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C10H10F3N5S — CID 114564512

IUPAC2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-14-9-17-6(10(11,12)13)4-7(18-9)16-5-8-15-2-3-19-8/h2-4H,5H2,1H3,(H2,14,16,17,18)
InChIKeyZWSCRULUJBSNHN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.61
Rot. Bonds4

About 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564512) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564512
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S/c1-14-9-17-6(10(11,12)13)4-7(18-9)16-5-8-15-2-3-19-8/h2-4H,5H2,1H3,(H2,14,16,17,18)
InChIKeyZWSCRULUJBSNHN-UHFFFAOYSA-N
XLogP2.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565486
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 146105270
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565044
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564722
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564512) is 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCc2nccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZWSCRULUJBSNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-14-9-17-6(10(11,12)13)4-7(18-9)16-5-8-15-2-3-19-8/h2-4H,5H2,1H3,(H2,14,16,17,18).
What are the key properties of 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 289.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).