5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine

C12H20BrN5 — CID 114072213

IUPAC5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCC(C)N1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C12H20BrN5/c1-3-9(2)17-4-6-18(7-5-17)12-10(13)11(14)15-8-16-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyKYGQJRXJWSVEMK-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.74
Rot. Bonds3

About 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine

5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114072213) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114072213
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCC(C)N1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C12H20BrN5/c1-3-9(2)17-4-6-18(7-5-17)12-10(13)11(14)15-8-16-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyKYGQJRXJWSVEMK-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428
6-(4-propan-2-ylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80792850
5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
CID 114072184
5-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793564
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 79176414
3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
CID 82817239
5-bromo-6-[4-[2-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 89442432
4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143595224
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 114072213) is 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine is CCC(C)N1CCN(c2ncnc(N)c2Br)CC1.
What is the InChIKey of 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KYGQJRXJWSVEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-3-9(2)17-4-6-18(7-5-17)12-10(13)11(14)15-8-16-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine?
5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114072213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).