N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H21F3N6S — CID 126890925

IUPACN-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)s1
InChIInChI=1S/C17H21F3N6S/c1-11-23-24-16(27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)15-8-14(17(18,19)20)21-10-22-15/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMWXYWRPCJCOIRU-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890925) has the molecular formula C17H21F3N6S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890925
Molecular FormulaC17H21F3N6S
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC NameN-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)s1
InChIInChI=1S/C17H21F3N6S/c1-11-23-24-16(27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)15-8-14(17(18,19)20)21-10-22-15/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMWXYWRPCJCOIRU-UHFFFAOYSA-N
XLogP3.29
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890832

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890925) is N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nnc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)s1.
What is the InChIKey of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MWXYWRPCJCOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6S/c1-11-23-24-16(27-11)9-25-6-4-13(5-7-25)26(12-2-3-12)15-8-14(17(18,19)20)21-10-22-15/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 398.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).