6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine

C44H47Cl3N12 — CID 159780229

About 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine

6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine (PubChem CID 159780229) has the molecular formula C44H47Cl3N12 and a molecular weight of 850.30 g/mol. Its IUPAC name is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine
• PubChem CID: 159780229
• Molecular Formula: C44H47Cl3N12
• Molecular Weight: 850.30 g/mol
• Exact Mass: 848.31
• IUPAC Name: 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine
• SMILES: Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.Cc1cnc(-c2cc(N3CCc4nc(NC5CC5)ncc4C3)ncc2Cl)c(C)c1.c1nc(NC2CC2)nc2c1CNCC2
• InChI: InChI=1S/C22H23ClN6.C12H10Cl2N2.C10H14N4/c1-13-7-14(2)21(25-9-13)17-8-20(24-11-18(17)23)29-6-5-19-15(12-29)10-26-22(28-19)27-16-3-4-16;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;1-2-8(1)13-10-12-6-7-5-11-4-3-9(7)14-10/h7-11,16H,3-6,12H2,1-2H3,(H,26,27,28);3-6H,1-2H3;6,8,11H,1-5H2,(H,12,13,14)
• InChIKey: NHGMLZUDFTXOLI-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 142.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.30
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine?

The IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine (CID 159780229) is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine.

What is the SMILES notation for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine?

The canonical SMILES for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine is Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.Cc1cnc(-c2cc(N3CCc4nc(NC5CC5)ncc4C3)ncc2Cl)c(C)c1.c1nc(NC2CC2)nc2c1CNCC2.

What is the InChIKey of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine?

The InChIKey is NHGMLZUDFTXOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6.C12H10Cl2N2.C10H14N4/c1-13-7-14(2)21(25-9-13)17-8-20(24-11-18(17)23)29-6-5-19-15(12-29)10-26-22(28-19)27-16-3-4-16;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;1-2-8(1)13-10-12-6-7-5-11-4-3-9(7)14-10/h7-11,16H,3-6,12H2,1-2H3,(H,26,27,28);3-6H,1-2H3;6,8,11H,1-5H2,(H,12,13,14).

What are the key properties of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine?

6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine has a molecular weight of 850.30 g/mol, XLogP of 9.10, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine is sourced from PubChem (CID 159780229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).