4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one

C24H31N7O4 — CID 145439011

About 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one

4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one (PubChem CID 145439011) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one
• PubChem CID: 145439011
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one
• SMILES: CNCCC1(CCO)CN(c2ncc(-c3cn[nH]c3)c(OC)n2)C(=O)N1Cc1cccc(OC)c1
• InChI: InChI=1S/C24H31N7O4/c1-25-9-7-24(8-10-32)16-30(23(33)31(24)15-17-5-4-6-19(11-17)34-2)22-26-14-20(21(29-22)35-3)18-12-27-28-13-18/h4-6,11-14,25,32H,7-10,15-16H2,1-3H3,(H,27,28)
• InChIKey: AFILHVQYVKQPOV-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 128.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one?

The IUPAC name of 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one (CID 145439011) is 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one.

What is the SMILES notation for 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one?

The canonical SMILES for 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one is CNCCC1(CCO)CN(c2ncc(-c3cn[nH]c3)c(OC)n2)C(=O)N1Cc1cccc(OC)c1.

What is the InChIKey of 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one?

The InChIKey is AFILHVQYVKQPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-9-7-24(8-10-32)16-30(23(33)31(24)15-17-5-4-6-19(11-17)34-2)22-26-14-20(21(29-22)35-3)18-12-27-28-13-18/h4-6,11-14,25,32H,7-10,15-16H2,1-3H3,(H,27,28).

What are the key properties of 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one?

4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one has a molecular weight of 481.56 g/mol, XLogP of 2.06, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxyethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-methoxy-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-[2-(methylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 145439011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).