6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine

C16H27BrN4 — CID 106193958

IUPAC6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
SMILESCC1CCN(CCNc2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H27BrN4/c1-12-5-8-21(9-6-12)10-7-18-14-11-13(17)19-15(20-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyANHAQLUHWPINJT-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.68
Rot. Bonds4

About 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine

6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 106193958) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
PubChem CID106193958
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC Name6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
SMILESCC1CCN(CCNc2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H27BrN4/c1-12-5-8-21(9-6-12)10-7-18-14-11-13(17)19-15(20-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyANHAQLUHWPINJT-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106193946
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
5-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 107874553
6-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-2,6-diamine
CID 80647391
6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432146
6-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 61241263
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine (CID 106193958) is 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine is CC1CCN(CCNc2cc(Br)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ANHAQLUHWPINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-12-5-8-21(9-6-12)10-7-18-14-11-13(17)19-15(20-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 355.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106193958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).