1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C18H26N6OS — CID 56876054

About 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56876054) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 56876054
• Molecular Formula: C18H26N6OS
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.19
• IUPAC Name: 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2csc(C(C)C)n2)C1
• InChI: InChI=1S/C18H26N6OS/c1-11(2)17-20-13(10-26-17)8-19-16-14-6-7-24(12(3)25)9-15(14)21-18(22-16)23(4)5/h10-11H,6-9H2,1-5H3,(H,19,21,22)
• InChIKey: KWSGOUTWEHANCM-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56876054) is 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

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

The canonical SMILES for 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2csc(C(C)C)n2)C1.

What is the InChIKey of 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The InChIKey is KWSGOUTWEHANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-11(2)17-20-13(10-26-17)8-19-16-14-6-7-24(12(3)25)9-15(14)21-18(22-16)23(4)5/h10-11H,6-9H2,1-5H3,(H,19,21,22).

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

1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 374.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56876054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).