N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine

C17H24N6O — CID 46992693

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCN1CCC(c2cc(NCc3noc(C4CCC4)n3)ncn2)CC1
InChIInChI=1S/C17H24N6O/c1-23-7-5-12(6-8-23)14-9-15(20-11-19-14)18-10-16-21-17(24-22-16)13-3-2-4-13/h9,11-13H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyFUJGYYILYCJPEU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.55
Rot. Bonds5

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 46992693) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID46992693
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCN1CCC(c2cc(NCc3noc(C4CCC4)n3)ncn2)CC1
InChIInChI=1S/C17H24N6O/c1-23-7-5-12(6-8-23)14-9-15(20-11-19-14)18-10-16-21-17(24-22-16)13-3-2-4-13/h9,11-13H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyFUJGYYILYCJPEU-UHFFFAOYSA-N
XLogP2.55
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-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
cis-3-(6-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91770584
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 71933051
5-Ethyl-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72136108
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
1-[3-[2-Methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270125
cis-3-{6-[[(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91761071
1-({1-[6-(trans-3-Aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl}methyl)pyrrolidin-2-one
CID 91765692
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864992
5-(3-Oxo-3-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}propyl)-3-isoxazolol
CID 56883130

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine (CID 46992693) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine is CN1CCC(c2cc(NCc3noc(C4CCC4)n3)ncn2)CC1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is FUJGYYILYCJPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-23-7-5-12(6-8-23)14-9-15(20-11-19-14)18-10-16-21-17(24-22-16)13-3-2-4-13/h9,11-13H,2-8,10H2,1H3,(H,18,19,20).
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 46992693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).