N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C16H19F3N6O — CID 171994568

IUPACN-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)o1
InChIInChI=1S/C16H19F3N6O/c1-10-22-23-14(26-10)9-24-7-5-12(8-24)25(11-2-3-11)15-20-6-4-13(21-15)16(17,18)19/h4,6,11-12H,2-3,5,7-9H2,1H3
InChIKeyCPVQBXPUYZXKKK-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.43
Rot. Bonds5

About N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171994568) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171994568
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)o1
InChIInChI=1S/C16H19F3N6O/c1-10-22-23-14(26-10)9-24-7-5-12(8-24)25(11-2-3-11)15-20-6-4-13(21-15)16(17,18)19/h4,6,11-12H,2-3,5,7-9H2,1H3
InChIKeyCPVQBXPUYZXKKK-UHFFFAOYSA-N
XLogP2.43
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 171994568) is N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1nnc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)o1.
What is the InChIKey of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CPVQBXPUYZXKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-10-22-23-14(26-10)9-24-7-5-12(8-24)25(11-2-3-11)15-20-6-4-13(21-15)16(17,18)19/h4,6,11-12H,2-3,5,7-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopropyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 368.36 g/mol, XLogP of 2.43, 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-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171994568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).