1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea

C32H35N5O3 — CID 146243341

About 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea

1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea (PubChem CID 146243341) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea
• PubChem CID: 146243341
• Molecular Formula: C32H35N5O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.27
• IUPAC Name: 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea
• SMILES: Cc1cc(NC(=O)NC2c3ccccc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1
• InChI: InChI=1S/C32H35N5O3/c1-19-15-24(35-30(39)37-28-22-13-9-10-14-23(22)31(2,3)16-25(28)38)27(20-11-7-6-8-12-20)36-26(19)21-17-33-29(34-18-21)32(4,5)40/h6-15,17-18,25,28,38,40H,16H2,1-5H3,(H2,35,37,39)/t25-,28?/m1/s1
• InChIKey: XEHQTMLJJIQJJA-RXVAYIKUSA-N
• XLogP: 5.65
• TPSA: 120.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?

The IUPAC name of 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea (CID 146243341) is 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea.

What is the SMILES notation for 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?

The canonical SMILES for 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea is Cc1cc(NC(=O)NC2c3ccccc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1.

What is the InChIKey of 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?

The InChIKey is XEHQTMLJJIQJJA-RXVAYIKUSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-19-15-24(35-30(39)37-28-22-13-9-10-14-23(22)31(2,3)16-25(28)38)27(20-11-7-6-8-12-20)36-26(19)21-17-33-29(34-18-21)32(4,5)40/h6-15,17-18,25,28,38,40H,16H2,1-5H3,(H2,35,37,39)/t25-,28?/m1/s1.

What are the key properties of 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?

1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea has a molecular weight of 537.66 g/mol, XLogP of 5.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea is sourced from PubChem (CID 146243341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).