6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C9H14BrN5 — CID 116796173

IUPAC6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(N)cc(Br)n2)CC1
InChIInChI=1S/C9H14BrN5/c1-14-2-4-15(5-3-14)9-12-7(10)6-8(11)13-9/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyCKHLGGSDXZHPRS-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.57
Rot. Bonds1

About 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 116796173) has the molecular formula C9H14BrN5 and a molecular weight of 272.15 g/mol. Its IUPAC name is 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID116796173
Molecular FormulaC9H14BrN5
Molecular Weight272.15 g/mol
Exact Mass271.04
IUPAC Name6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(N)cc(Br)n2)CC1
InChIInChI=1S/C9H14BrN5/c1-14-2-4-15(5-3-14)9-12-7(10)6-8(11)13-9/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyCKHLGGSDXZHPRS-UHFFFAOYSA-N
XLogP0.57
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 116796465
6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 116796883
6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 116796835
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 116797018
5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302732
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
CID 116796943
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
CID 53233904
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine
CID 23936511
2-[4-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidine-4,6-diamine
CID 130320466
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 54587791

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 116796173) is 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2nc(N)cc(Br)n2)CC1.
What is the InChIKey of 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is CKHLGGSDXZHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN5/c1-14-2-4-15(5-3-14)9-12-7(10)6-8(11)13-9/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 272.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 116796173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).