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

C18H27N5O — CID 72900193

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CNC2CCN(c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C18H27N5O/c1-4-5-16-11-17(24-22-16)12-19-15-6-8-23(9-7-15)18-20-13(2)10-14(3)21-18/h10-11,15,19H,4-9,12H2,1-3H3
InChIKeyVKGCOMUDKCIFRG-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.79
Rot. Bonds6

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

1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (PubChem CID 72900193) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
PubChem CID72900193
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CNC2CCN(c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C18H27N5O/c1-4-5-16-11-17(24-22-16)12-19-15-6-8-23(9-7-15)18-20-13(2)10-14(3)21-18/h10-11,15,19H,4-9,12H2,1-3H3
InChIKeyVKGCOMUDKCIFRG-UHFFFAOYSA-N
XLogP2.79
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (CID 72900193) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is CCCc1cc(CNC2CCN(c3nc(C)cc(C)n3)CC2)on1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is VKGCOMUDKCIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-5-16-11-17(24-22-16)12-19-15-6-8-23(9-7-15)18-20-13(2)10-14(3)21-18/h10-11,15,19H,4-9,12H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).