2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C15H17F3N6S — CID 71854390

IUPAC2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc2sccn2c1CN(C)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6S/c1-9-10(24-5-6-25-14(24)19-9)8-23(4)13-20-11(15(16,17)18)7-12(21-13)22(2)3/h5-7H,8H2,1-4H3
InChIKeyBKJFVDTWTCWYNM-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.22
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 71854390) has the molecular formula C15H17F3N6S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID71854390
Molecular FormulaC15H17F3N6S
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc2sccn2c1CN(C)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6S/c1-9-10(24-5-6-25-14(24)19-9)8-23(4)13-20-11(15(16,17)18)7-12(21-13)22(2)3/h5-7H,8H2,1-4H3
InChIKeyBKJFVDTWTCWYNM-UHFFFAOYSA-N
XLogP3.22
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-2-amine
CID 115621649
2,3,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 62810852
4-bromo-2,6-difluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467947
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 67369478
2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133275421
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 97316666
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1,3,5-trimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 43768823

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 71854390) is 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc2sccn2c1CN(C)c1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BKJFVDTWTCWYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6S/c1-9-10(24-5-6-25-14(24)19-9)8-23(4)13-20-11(15(16,17)18)7-12(21-13)22(2)3/h5-7H,8H2,1-4H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 370.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71854390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).