(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

C23H26BrN7O — CID 130469678

IUPAC(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(Br)c4)cn3)CC2)n1
InChIInChI=1S/C23H26BrN7O/c1-15(2)18-12-29(3)22(32)31(18)20-7-10-25-21(27-20)28-23(8-9-23)19-13-30(14-26-19)17-6-4-5-16(24)11-17/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,27,28)/t18-/m1/s1
InChIKeyWFAOLPRNDRCAMO-GOSISDBHSA-N
MW496.41 g/mol
LogP4.42
Rot. Bonds6

About (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 130469678) has the molecular formula C23H26BrN7O and a molecular weight of 496.41 g/mol. Its IUPAC name is (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID130469678
Molecular FormulaC23H26BrN7O
Molecular Weight496.41 g/mol
Exact Mass495.14
IUPAC Name(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(Br)c4)cn3)CC2)n1
InChIInChI=1S/C23H26BrN7O/c1-15(2)18-12-29(3)22(32)31(18)20-7-10-25-21(27-20)28-23(8-9-23)19-13-30(14-26-19)17-6-4-5-16(24)11-17/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,27,28)/t18-/m1/s1
InChIKeyWFAOLPRNDRCAMO-GOSISDBHSA-N
XLogP4.42
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 130469678) is (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(Br)c4)cn3)CC2)n1.
What is the InChIKey of (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is WFAOLPRNDRCAMO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26BrN7O/c1-15(2)18-12-29(3)22(32)31(18)20-7-10-25-21(27-20)28-23(8-9-23)19-13-30(14-26-19)17-6-4-5-16(24)11-17/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,27,28)/t18-/m1/s1.
What are the key properties of (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?
(4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 496.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[1-[1-(3-bromophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 130469678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).