N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C9H8F3N5S — CID 72841838

IUPACN-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnsc1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S/c1-5-6(18-17-16-5)4-14-8-13-3-2-7(15-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyALZFFBYVOBZAFK-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.27
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72841838) has the molecular formula C9H8F3N5S and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72841838
Molecular FormulaC9H8F3N5S
Molecular Weight275.26 g/mol
Exact Mass275.05
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnsc1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S/c1-5-6(18-17-16-5)4-14-8-13-3-2-7(15-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyALZFFBYVOBZAFK-UHFFFAOYSA-N
XLogP2.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine
CID 130679566
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
4-methyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-1H-pyrimidin-6-one
CID 138018802
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 105418954
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
4-amino-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol
CID 64585858
3-ethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 106287283
4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzonitrile
CID 47281617

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 72841838) is N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1nnsc1CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ALZFFBYVOBZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S/c1-5-6(18-17-16-5)4-14-8-13-3-2-7(15-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 275.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).