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

C20H23N5O — CID 45193824

IUPAC2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCc2coc(-c3ccccc3)n2)cc(C2CCNCC2)n1
InChIInChI=1S/C20H23N5O/c1-14-23-18(15-7-9-21-10-8-15)11-19(24-14)22-12-17-13-26-20(25-17)16-5-3-2-4-6-16/h2-6,11,13,15,21H,7-10,12H2,1H3,(H,22,23,24)
InChIKeyMOUHOVVIRMRBQW-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds5

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

2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45193824) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45193824
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCc2coc(-c3ccccc3)n2)cc(C2CCNCC2)n1
InChIInChI=1S/C20H23N5O/c1-14-23-18(15-7-9-21-10-8-15)11-19(24-14)22-12-17-13-26-20(25-17)16-5-3-2-4-6-16/h2-6,11,13,15,21H,7-10,12H2,1H3,(H,22,23,24)
InChIKeyMOUHOVVIRMRBQW-UHFFFAOYSA-N
XLogP3.52
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45193824) is 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(NCc2coc(-c3ccccc3)n2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is MOUHOVVIRMRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-23-18(15-7-9-21-10-8-15)11-19(24-14)22-12-17-13-26-20(25-17)16-5-3-2-4-6-16/h2-6,11,13,15,21H,7-10,12H2,1H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45193824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).