2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

C14H22BrN5 — CID 165433876

IUPAC2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESC=C(Br)CN1CCN(c2nc(C)cc(N(C)C)n2)CC1
InChIInChI=1S/C14H22BrN5/c1-11(15)10-19-5-7-20(8-6-19)14-16-12(2)9-13(17-14)18(3)4/h9H,1,5-8,10H2,2-4H3
InChIKeyGVKFWUGFRVILOJ-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 165433876) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
PubChem CID165433876
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESC=C(Br)CN1CCN(c2nc(C)cc(N(C)C)n2)CC1
InChIInChI=1S/C14H22BrN5/c1-11(15)10-19-5-7-20(8-6-19)14-16-12(2)9-13(17-14)18(3)4/h9H,1,5-8,10H2,2-4H3
InChIKeyGVKFWUGFRVILOJ-UHFFFAOYSA-N
XLogP1.88
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 146074499
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 171997136
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18566518
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 121031818
1-[4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122332892
(3-bromophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 22585317
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031971
(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124737207
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
3-[2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122332792
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122332746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (CID 165433876) is 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is C=C(Br)CN1CCN(c2nc(C)cc(N(C)C)n2)CC1.
What is the InChIKey of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is GVKFWUGFRVILOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-11(15)10-19-5-7-20(8-6-19)14-16-12(2)9-13(17-14)18(3)4/h9H,1,5-8,10H2,2-4H3.
What are the key properties of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 340.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 165433876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).