2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

C18H25N7O — CID 95820312

About 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95820312) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 95820312
• Molecular Formula: C18H25N7O
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.21
• IUPAC Name: 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(=O)CN(C)C)C2)n1
• InChI: InChI=1S/C18H25N7O/c1-13-9-15(22-16-10-19-6-7-20-16)23-18(21-13)14-5-4-8-25(11-14)17(26)12-24(2)3/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,20,21,22,23)/t14-/m0/s1
• InChIKey: ZBKJOPDHXSRNCA-AWEZNQCLSA-N
• XLogP: 1.59
• TPSA: 87.14 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	355.45
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95820312) is 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(=O)CN(C)C)C2)n1.

What is the InChIKey of 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is ZBKJOPDHXSRNCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-9-15(22-16-10-19-6-7-20-16)23-18(21-13)14-5-4-8-25(11-14)17(26)12-24(2)3/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,20,21,22,23)/t14-/m0/s1.

What are the key properties of 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?

2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 355.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).