1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine

C28H39ClN6O3 — CID 144707825

About 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine

1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine (PubChem CID 144707825) has the molecular formula C28H39ClN6O3 and a molecular weight of 543.11 g/mol. Its IUPAC name is 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine.

Molecular Properties

• Compound Name: 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine
• PubChem CID: 144707825
• Molecular Formula: C28H39ClN6O3
• Molecular Weight: 543.11 g/mol
• Exact Mass: 542.28
• IUPAC Name: 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine
• SMILES: C1CCN(C2CC2)CC1.CNCC(O)COc1ccc(Cl)c(-c2nc(N)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C20H24ClN5O3.C8H15N/c1-10-18(17-11(2)26-29-12(17)3)24-20(25-19(10)22)15-7-14(5-6-16(15)21)28-9-13(27)8-23-4;1-2-6-9(7-3-1)8-4-5-8/h5-7,13,23,27H,8-9H2,1-4H3,(H2,22,24,25);8H,1-7H2
• InChIKey: VOKJIEZXFUYHEK-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 122.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.11
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine?

The IUPAC name of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine (CID 144707825) is 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine.

What is the SMILES notation for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine?

The canonical SMILES for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine is C1CCN(C2CC2)CC1.CNCC(O)COc1ccc(Cl)c(-c2nc(N)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine?

The InChIKey is VOKJIEZXFUYHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3.C8H15N/c1-10-18(17-11(2)26-29-12(17)3)24-20(25-19(10)22)15-7-14(5-6-16(15)21)28-9-13(27)8-23-4;1-2-6-9(7-3-1)8-4-5-8/h5-7,13,23,27H,8-9H2,1-4H3,(H2,22,24,25);8H,1-7H2.

What are the key properties of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine?

1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine has a molecular weight of 543.11 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine is sourced from PubChem (CID 144707825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).