N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

C17H26N6O — CID 56719689

IUPACN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCC(C)Cc1nc(CN(C)c2cc(C3CCNCC3)ncn2)no1
InChIInChI=1S/C17H26N6O/c1-12(2)8-17-21-15(22-24-17)10-23(3)16-9-14(19-11-20-16)13-4-6-18-7-5-13/h9,11-13,18H,4-8,10H2,1-3H3
InChIKeyKYHNSRWNHWQRMG-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56719689) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56719689
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCC(C)Cc1nc(CN(C)c2cc(C3CCNCC3)ncn2)no1
InChIInChI=1S/C17H26N6O/c1-12(2)8-17-21-15(22-24-17)10-23(3)16-9-14(19-11-20-16)13-4-6-18-7-5-13/h9,11-13,18H,4-8,10H2,1-3H3
InChIKeyKYHNSRWNHWQRMG-UHFFFAOYSA-N
XLogP2.16
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-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
5-(2-Methylpropyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588219
6-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50978397
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 56713348
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
5-Methyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 66509232
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
6-isopropyl-N-[1-(pyrrolidin-1-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72906556
3-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95824258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 56719689) is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is CC(C)Cc1nc(CN(C)c2cc(C3CCNCC3)ncn2)no1.
What is the InChIKey of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is KYHNSRWNHWQRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(2)8-17-21-15(22-24-17)10-23(3)16-9-14(19-11-20-16)13-4-6-18-7-5-13/h9,11-13,18H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56719689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).