5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine

C11H14N6S — CID 24912252

About 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine

5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 24912252) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
• PubChem CID: 24912252
• Molecular Formula: C11H14N6S
• Molecular Weight: 262.34 g/mol
• Exact Mass: 262.10
• IUPAC Name: 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
• SMILES: Nc1ncc2c(n1)CCN(Cc1cnc(N)s1)C2
• InChI: InChI=1S/C11H14N6S/c12-10-14-3-7-5-17(2-1-9(7)16-10)6-8-4-15-11(13)18-8/h3-4H,1-2,5-6H2,(H2,13,15)(H2,12,14,16)
• InChIKey: RLDBILPNNBUYGB-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 93.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.34
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine?

The IUPAC name of 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine (CID 24912252) is 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc2c(n1)CCN(Cc1cnc(N)s1)C2.

What is the InChIKey of 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine?

The InChIKey is RLDBILPNNBUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c12-10-14-3-7-5-17(2-1-9(7)16-10)6-8-4-15-11(13)18-8/h3-4H,1-2,5-6H2,(H2,13,15)(H2,12,14,16).

What are the key properties of 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine?

5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 262.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24912252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).