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

C16H23N5O — CID 126887336

IUPACN-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCC(C)c1cnc(CN2CCC(Nc3ccncn3)CC2)o1
InChIInChI=1S/C16H23N5O/c1-12(2)14-9-18-16(22-14)10-21-7-4-13(5-8-21)20-15-3-6-17-11-19-15/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3,(H,17,19,20)
InChIKeyAGRXGRVRRCHVLS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.66
Rot. Bonds5

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

N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887336) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887336
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCC(C)c1cnc(CN2CCC(Nc3ccncn3)CC2)o1
InChIInChI=1S/C16H23N5O/c1-12(2)14-9-18-16(22-14)10-21-7-4-13(5-8-21)20-15-3-6-17-11-19-15/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3,(H,17,19,20)
InChIKeyAGRXGRVRRCHVLS-UHFFFAOYSA-N
XLogP2.66
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887336) is N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is CC(C)c1cnc(CN2CCC(Nc3ccncn3)CC2)o1.
What is the InChIKey of N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is AGRXGRVRRCHVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)14-9-18-16(22-14)10-21-7-4-13(5-8-21)20-15-3-6-17-11-19-15/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3,(H,17,19,20).
What are the key properties of N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).