N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine

C17H24N6O2 — CID 126890717

IUPACN-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCOCc1noc(N2CCC(N(c3cc(C)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-12-9-16(19-11-18-12)23(13-3-4-13)14-5-7-22(8-6-14)17-20-15(10-24-2)21-25-17/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeySHAXGUYQENJBDC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.95
Rot. Bonds6

About N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine

N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126890717) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126890717
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCOCc1noc(N2CCC(N(c3cc(C)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-12-9-16(19-11-18-12)23(13-3-4-13)14-5-7-22(8-6-14)17-20-15(10-24-2)21-25-17/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeySHAXGUYQENJBDC-UHFFFAOYSA-N
XLogP1.95
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887423
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126890673
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 126890479
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126890461

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126890717) is N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine is COCc1noc(N2CCC(N(c3cc(C)ncn3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is SHAXGUYQENJBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-9-16(19-11-18-12)23(13-3-4-13)14-5-7-22(8-6-14)17-20-15(10-24-2)21-25-17/h9,11,13-14H,3-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126890717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).