5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine

C27H36Cl2N6O2 — CID 144707819

About 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine

5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine (PubChem CID 144707819) has the molecular formula C27H36Cl2N6O2 and a molecular weight of 547.53 g/mol. Its IUPAC name is 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine.

Molecular Properties

• Compound Name: 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine
• PubChem CID: 144707819
• Molecular Formula: C27H36Cl2N6O2
• Molecular Weight: 547.53 g/mol
• Exact Mass: 546.23
• IUPAC Name: 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine
• SMILES: C1CCN(C2CC2)CC1.CNCCCOc1ccc(Cl)c(-c2nc(N)c(Cl)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C19H21Cl2N5O2.C8H15N/c1-10-15(11(2)28-26-10)17-16(21)18(22)25-19(24-17)13-9-12(5-6-14(13)20)27-8-4-7-23-3;1-2-6-9(7-3-1)8-4-5-8/h5-6,9,23H,4,7-8H2,1-3H3,(H2,22,24,25);8H,1-7H2
• InChIKey: QXLICDOYOVCONQ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 102.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine?

The IUPAC name of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine (CID 144707819) is 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine.

What is the SMILES notation for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine?

The canonical SMILES for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine is C1CCN(C2CC2)CC1.CNCCCOc1ccc(Cl)c(-c2nc(N)c(Cl)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine?

The InChIKey is QXLICDOYOVCONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2.C8H15N/c1-10-15(11(2)28-26-10)17-16(21)18(22)25-19(24-17)13-9-12(5-6-14(13)20)27-8-4-7-23-3;1-2-6-9(7-3-1)8-4-5-8/h5-6,9,23H,4,7-8H2,1-3H3,(H2,22,24,25);8H,1-7H2.

What are the key properties of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine?

5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine has a molecular weight of 547.53 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine is sourced from PubChem (CID 144707819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).