N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

C18H27N5O — CID 45236887

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCCCc2c(C)noc2C)cc(C2CCNCC2)n1
InChIInChI=1S/C18H27N5O/c1-12-16(13(2)24-23-12)5-4-8-20-18-11-17(21-14(3)22-18)15-6-9-19-10-7-15/h11,15,19H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyMWFDMCWYJRQKEB-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45236887) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45236887
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCCCc2c(C)noc2C)cc(C2CCNCC2)n1
InChIInChI=1S/C18H27N5O/c1-12-16(13(2)24-23-12)5-4-8-20-18-11-17(21-14(3)22-18)15-6-9-19-10-7-15/h11,15,19H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyMWFDMCWYJRQKEB-UHFFFAOYSA-N
XLogP2.90
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (CID 45236887) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(NCCCc2c(C)noc2C)cc(C2CCNCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is MWFDMCWYJRQKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12-16(13(2)24-23-12)5-4-8-20-18-11-17(21-14(3)22-18)15-6-9-19-10-7-15/h11,15,19H,4-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45236887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).