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

C17H26N6O — CID 45221683

IUPACN,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)Cc2nc(C(C)C)no2)n1
InChIInChI=1S/C17H26N6O/c1-11(2)17-21-16(24-22-17)10-23(4)15-9-14(19-12(3)20-15)13-5-7-18-8-6-13/h9,11,13,18H,5-8,10H2,1-4H3
InChIKeyLOLZPDKTSDIPLN-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.39
Rot. Bonds5

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

N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 45221683) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID45221683
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)Cc2nc(C(C)C)no2)n1
InChIInChI=1S/C17H26N6O/c1-11(2)17-21-16(24-22-17)10-23(4)15-9-14(19-12(3)20-15)13-5-7-18-8-6-13/h9,11,13,18H,5-8,10H2,1-4H3
InChIKeyLOLZPDKTSDIPLN-UHFFFAOYSA-N
XLogP2.39
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 45221683) is N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1nc(C2CCNCC2)cc(N(C)Cc2nc(C(C)C)no2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is LOLZPDKTSDIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11(2)17-21-16(24-22-17)10-23(4)15-9-14(19-12(3)20-15)13-5-7-18-8-6-13/h9,11,13,18H,5-8,10H2,1-4H3.
What are the key properties of N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-4-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 2.39, 5 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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 45221683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).