1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea

C24H26N6O — CID 52920656

IUPAC1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea
SMILESCN(C)CCCn1cc(NC(=O)Nc2nccc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyHHPKECHVRQHCMB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.69
Rot. Bonds7

About 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea

1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea (PubChem CID 52920656) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea
PubChem CID52920656
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea
SMILESCN(C)CCCn1cc(NC(=O)Nc2nccc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyHHPKECHVRQHCMB-UHFFFAOYSA-N
XLogP4.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea (CID 52920656) is 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea is CN(C)CCCn1cc(NC(=O)Nc2nccc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea?
The InChIKey is HHPKECHVRQHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31).
What are the key properties of 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea?
1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea has a molecular weight of 414.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]indol-3-yl]-3-(4-phenylpyrimidin-2-yl)urea is sourced from PubChem (CID 52920656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).