(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

C24H27N5O — CID 130469600

IUPAC(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N5O/c1-16(2)21-15-26-24(30)29(21)22-13-14-25-23(28-22)27-17(3)18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,26,30)(H,25,27,28)/t17?,21-/m1/s1
InChIKeyDSUMEKXTTWXVJO-FBLFFUNLSA-N
MW401.51 g/mol
LogP4.87
Rot. Bonds6

About (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (PubChem CID 130469600) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
PubChem CID130469600
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N5O/c1-16(2)21-15-26-24(30)29(21)22-13-14-25-23(28-22)27-17(3)18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,26,30)(H,25,27,28)/t17?,21-/m1/s1
InChIKeyDSUMEKXTTWXVJO-FBLFFUNLSA-N
XLogP4.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (CID 130469600) is (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is CC(Nc1nccc(N2C(=O)NC[C@@H]2C(C)C)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The InChIKey is DSUMEKXTTWXVJO-FBLFFUNLSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16(2)21-15-26-24(30)29(21)22-13-14-25-23(28-22)27-17(3)18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,26,30)(H,25,27,28)/t17?,21-/m1/s1.
What are the key properties of (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
(5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 130469600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).