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

C14H16F3N5O — CID 56865075

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1nc(C2CC2)no1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-22(8-11-20-12(21-23-11)9-2-3-9)13-18-7-5-10(19-13)4-6-14(15,16)17/h5,7,9H,2-4,6,8H2,1H3
InChIKeyGVBCFVNKOBOBDG-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.87
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56865075) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56865075
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1nc(C2CC2)no1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-22(8-11-20-12(21-23-11)9-2-3-9)13-18-7-5-10(19-13)4-6-14(15,16)17/h5,7,9H,2-4,6,8H2,1H3
InChIKeyGVBCFVNKOBOBDG-UHFFFAOYSA-N
XLogP2.87
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
2-{4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidin-1-YL}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861431
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864992
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 124754289
3-(methoxymethyl)-5-[[(3S)-3-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164632281
2-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 71934652
3-[4-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-2-yl]-1,2,4-oxadiazole
CID 87058644
1-[2-(2-Chloropyrimidin-4-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 132258935
1-(2-Pyrimidin-4-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 132259435

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56865075) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(Cc1nc(C2CC2)no1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is GVBCFVNKOBOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-22(8-11-20-12(21-23-11)9-2-3-9)13-18-7-5-10(19-13)4-6-14(15,16)17/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56865075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).