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

C20H31N5O — CID 72863779

IUPAC1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CNC2CCN(c3cc(C(C)C)nc(C)n3)CC2)on1
InChIInChI=1S/C20H31N5O/c1-5-6-17-11-18(26-24-17)13-21-16-7-9-25(10-8-16)20-12-19(14(2)3)22-15(4)23-20/h11-12,14,16,21H,5-10,13H2,1-4H3
InChIKeyYGGGWPDSYTWHIX-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.61
Rot. Bonds7

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

1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (PubChem CID 72863779) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
PubChem CID72863779
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CNC2CCN(c3cc(C(C)C)nc(C)n3)CC2)on1
InChIInChI=1S/C20H31N5O/c1-5-6-17-11-18(26-24-17)13-21-16-7-9-25(10-8-16)20-12-19(14(2)3)22-15(4)23-20/h11-12,14,16,21H,5-10,13H2,1-4H3
InChIKeyYGGGWPDSYTWHIX-UHFFFAOYSA-N
XLogP3.61
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (CID 72863779) is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is CCCc1cc(CNC2CCN(c3cc(C(C)C)nc(C)n3)CC2)on1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is YGGGWPDSYTWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-5-6-17-11-18(26-24-17)13-21-16-7-9-25(10-8-16)20-12-19(14(2)3)22-15(4)23-20/h11-12,14,16,21H,5-10,13H2,1-4H3.
What are the key properties of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 357.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72863779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).