5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

C17H21BrN6 — CID 171328258

IUPAC5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C17H21BrN6/c1-23(17-20-10-13(18)11-21-17)14-5-8-24(9-6-14)15-4-7-19-16(22-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3
InChIKeyVXKAQSIPOGOYGL-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 171328258) has the molecular formula C17H21BrN6 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID171328258
Molecular FormulaC17H21BrN6
Molecular Weight389.30 g/mol
Exact Mass388.10
IUPAC Name5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C17H21BrN6/c1-23(17-20-10-13(18)11-21-17)14-5-8-24(9-6-14)15-4-7-19-16(22-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3
InChIKeyVXKAQSIPOGOYGL-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 171328258) is 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Br)cn1)C1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is VXKAQSIPOGOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN6/c1-23(17-20-10-13(18)11-21-17)14-5-8-24(9-6-14)15-4-7-19-16(22-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 389.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171328258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).