N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C18H28N6O — CID 56719078

IUPACN,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)CCc2noc(C(C)C)n2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-10-24(4)17-11-15(20-13(3)21-17)14-5-8-19-9-6-14/h11-12,14,19H,5-10H2,1-4H3
InChIKeyRWPPWHMCGWFCKX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.44
Rot. Bonds6

About N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 56719078) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID56719078
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)CCc2noc(C(C)C)n2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-10-24(4)17-11-15(20-13(3)21-17)14-5-8-19-9-6-14/h11-12,14,19H,5-10H2,1-4H3
InChIKeyRWPPWHMCGWFCKX-UHFFFAOYSA-N
XLogP2.44
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]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
N-[(5-Isopropyl-1,2,4-oxadiazol-3-YL)methyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 50957117
6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50964866
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-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
(3R*,5S*)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72922502
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 56719078) is N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(C2CCNCC2)cc(N(C)CCc2noc(C(C)C)n2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RWPPWHMCGWFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-10-24(4)17-11-15(20-13(3)21-17)14-5-8-19-9-6-14/h11-12,14,19H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-piperidin-4-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56719078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).