N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine

C13H18N6O2 — CID 126887423

IUPACN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOCc1noc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C13H18N6O2/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyAAMUPCGPAUDBOO-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.09
Rot. Bonds5

About N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887423) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887423
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOCc1noc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C13H18N6O2/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyAAMUPCGPAUDBOO-UHFFFAOYSA-N
XLogP1.09
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717
N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887311
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887171
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine (CID 126887423) is N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine is COCc1noc(N2CCC(Nc3ccncn3)CC2)n1.
What is the InChIKey of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is AAMUPCGPAUDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16).
What are the key properties of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).