4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

C19H21N5O2 — CID 91899244

About 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 91899244) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 91899244
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
• SMILES: CCNc1nccc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1
• InChI: InChI=1S/C19H21N5O2/c1-2-20-19-21-9-8-15(24-19)14-10-16(22-11-14)18(26)23-17(12-25)13-6-4-3-5-7-13/h3-11,17,22,25H,2,12H2,1H3,(H,23,26)(H,20,21,24)/t17-/m1/s1
• InChIKey: UJWVROFTMGPVSY-QGZVFWFLSA-N
• XLogP: 2.37
• TPSA: 102.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide (CID 91899244) is 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide is CCNc1nccc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1.

What is the InChIKey of 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide?

The InChIKey is UJWVROFTMGPVSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-20-19-21-9-8-15(24-19)14-10-16(22-11-14)18(26)23-17(12-25)13-6-4-3-5-7-13/h3-11,17,22,25H,2,12H2,1H3,(H,23,26)(H,20,21,24)/t17-/m1/s1.

What are the key properties of 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide?

4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91899244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).