N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H18F3N5O — CID 56864992

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-12-22-13(24-23-12)10-3-1-2-4-10/h6,8,10H,1-5,7,9H2,(H,19,20,21)
InChIKeyRXSRWOZOCPYRHS-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.62
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56864992) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56864992
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-12-22-13(24-23-12)10-3-1-2-4-10/h6,8,10H,1-5,7,9H2,(H,19,20,21)
InChIKeyRXSRWOZOCPYRHS-UHFFFAOYSA-N
XLogP3.62
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
2-{4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidin-1-YL}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861431
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865075
4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
CID 56916874
(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 124754289
3-(2-pyrimidin-4-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 132259440
N-[(5-Isopropyl-1,2,4-oxadiazol-3-YL)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866672
N-Methyl-5-({[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)-1,2,4-oxadiazole-3-carboxamide
CID 56875969
2-{4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperazin-1-YL}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56917306
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine
CID 79713029
N-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 79718814

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56864992) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCc2noc(C3CCCC3)n2)n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is RXSRWOZOCPYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)7-5-11-6-8-19-14(21-11)20-9-12-22-13(24-23-12)10-3-1-2-4-10/h6,8,10H,1-5,7,9H2,(H,19,20,21).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 341.34 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).