N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C17H25N5O2S — CID 72915421

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72915421) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 72915421
• Molecular Formula: C17H25N5O2S
• Molecular Weight: 363.49 g/mol
• Exact Mass: 363.17
• IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
• SMILES: Cc1nc(-c2ncc(C(=O)NCCN(C(C)C)C(C)C)c(=O)[nH]2)cs1
• InChI: InChI=1S/C17H25N5O2S/c1-10(2)22(11(3)4)7-6-18-16(23)13-8-19-15(21-17(13)24)14-9-25-12(5)20-14/h8-11H,6-7H2,1-5H3,(H,18,23)(H,19,21,24)
• InChIKey: BCUSOCMRCJCYNK-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.49
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 72915421) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)NCCN(C(C)C)C(C)C)c(=O)[nH]2)cs1.

What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The InChIKey is BCUSOCMRCJCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-10(2)22(11(3)4)7-6-18-16(23)13-8-19-15(21-17(13)24)14-9-25-12(5)20-14/h8-11H,6-7H2,1-5H3,(H,18,23)(H,19,21,24).

What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72915421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).