4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine

C17H20BrN5 — CID 175086497

IUPAC4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine
SMILESCN(C)CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
InChIInChI=1S/C17H20BrN5/c1-22(2)8-3-9-23-11-14(15-6-7-20-17(19)21-15)13-10-12(18)4-5-16(13)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyOEDIILSZTHQACQ-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.39
Rot. Bonds5

About 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine

4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine (PubChem CID 175086497) has the molecular formula C17H20BrN5 and a molecular weight of 374.29 g/mol. Its IUPAC name is 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine
PubChem CID175086497
Molecular FormulaC17H20BrN5
Molecular Weight374.29 g/mol
Exact Mass373.09
IUPAC Name4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine
SMILESCN(C)CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
InChIInChI=1S/C17H20BrN5/c1-22(2)8-3-9-23-11-14(15-6-7-20-17(19)21-15)13-10-12(18)4-5-16(13)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyOEDIILSZTHQACQ-UHFFFAOYSA-N
XLogP3.39
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine (CID 175086497) is 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine is CN(C)CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21.
What is the InChIKey of 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine?
The InChIKey is OEDIILSZTHQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5/c1-22(2)8-3-9-23-11-14(15-6-7-20-17(19)21-15)13-10-12(18)4-5-16(13)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine?
4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine has a molecular weight of 374.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 175086497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).