5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine

C13H21BrN4 — CID 114072184

IUPAC5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)C1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2,3)9-4-6-18(7-5-9)12-10(14)11(15)16-8-17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyXCMWPBCPCBEGIB-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.08
Rot. Bonds1

About 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine

5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 114072184) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID114072184
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)C1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2,3)9-4-6-18(7-5-9)12-10(14)11(15)16-8-17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyXCMWPBCPCBEGIB-UHFFFAOYSA-N
XLogP3.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 114072213
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 62475559
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
5-(4-tert-butylpiperidin-1-yl)pyrazin-2-amine
CID 80652911
6-(4-tert-butylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80984837
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
5-bromo-6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 118300548
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine (CID 114072184) is 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine is CC(C)(C)C1CCN(c2ncnc(N)c2Br)CC1.
What is the InChIKey of 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XCMWPBCPCBEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-13(2,3)9-4-6-18(7-5-9)12-10(14)11(15)16-8-17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine?
5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114072184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).