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

C19H25N5OS — CID 95840651

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

cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 95840651) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• PubChem CID: 95840651
• Molecular Formula: C19H25N5OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• SMILES: Cc1nc2c(c(Nc3ncc(C)s3)n1)CN(C(=O)C1CCCCC1)CC2
• InChI: InChI=1S/C19H25N5OS/c1-12-10-20-19(26-12)23-17-15-11-24(9-8-16(15)21-13(2)22-17)18(25)14-6-4-3-5-7-14/h10,14H,3-9,11H2,1-2H3,(H,20,21,22,23)
• InChIKey: OYRYZRNANGLGOF-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 95840651) is cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

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

The canonical SMILES for cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is Cc1nc2c(c(Nc3ncc(C)s3)n1)CN(C(=O)C1CCCCC1)CC2.

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

The InChIKey is OYRYZRNANGLGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-12-10-20-19(26-12)23-17-15-11-24(9-8-16(15)21-13(2)22-17)18(25)14-6-4-3-5-7-14/h10,14H,3-9,11H2,1-2H3,(H,20,21,22,23).

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

cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 95840651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).