5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine

C16H20Cl2N6 — CID 24912878

About 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine

5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine (PubChem CID 24912878) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
• PubChem CID: 24912878
• Molecular Formula: C16H20Cl2N6
• Molecular Weight: 367.28 g/mol
• Exact Mass: 366.11
• IUPAC Name: 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
• SMILES: CC(C)(C)c1ncc2c(n1)CCN(Cc1c(Cl)nc(N)nc1Cl)C2
• InChI: InChI=1S/C16H20Cl2N6/c1-16(2,3)14-20-6-9-7-24(5-4-11(9)21-14)8-10-12(17)22-15(19)23-13(10)18/h6H,4-5,7-8H2,1-3H3,(H2,19,22,23)
• InChIKey: QJOKOLVOQRPNSL-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 80.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.28
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine?

The IUPAC name of 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine (CID 24912878) is 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine.

What is the SMILES notation for 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine?

The canonical SMILES for 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine is CC(C)(C)c1ncc2c(n1)CCN(Cc1c(Cl)nc(N)nc1Cl)C2.

What is the InChIKey of 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine?

The InChIKey is QJOKOLVOQRPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6/c1-16(2,3)14-20-6-9-7-24(5-4-11(9)21-14)8-10-12(17)22-15(19)23-13(10)18/h6H,4-5,7-8H2,1-3H3,(H2,19,22,23).

What are the key properties of 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine?

5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine has a molecular weight of 367.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine is sourced from PubChem (CID 24912878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).