5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C17H22BrClN4S — CID 11418987

IUPAC5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1(C)CC(Nc2ncc(Br)c(-c3ccc(Cl)s3)n2)CC(C)(C)N1
InChIInChI=1S/C17H22BrClN4S/c1-16(2)7-10(8-17(3,4)23-16)21-15-20-9-11(18)14(22-15)12-5-6-13(19)24-12/h5-6,9-10,23H,7-8H2,1-4H3,(H,20,21,22)
InChIKeyXNIHYKZXFQUGBA-UHFFFAOYSA-N
MW429.82 g/mol
LogP5.34
Rot. Bonds3

About 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 11418987) has the molecular formula C17H22BrClN4S and a molecular weight of 429.82 g/mol. Its IUPAC name is 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID11418987
Molecular FormulaC17H22BrClN4S
Molecular Weight429.82 g/mol
Exact Mass428.04
IUPAC Name5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1(C)CC(Nc2ncc(Br)c(-c3ccc(Cl)s3)n2)CC(C)(C)N1
InChIInChI=1S/C17H22BrClN4S/c1-16(2)7-10(8-17(3,4)23-16)21-15-20-9-11(18)14(22-15)12-5-6-13(19)24-12/h5-6,9-10,23H,7-8H2,1-4H3,(H,20,21,22)
InChIKeyXNIHYKZXFQUGBA-UHFFFAOYSA-N
XLogP5.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.82
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 15066137
(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
CID 11487913
4-(5-propoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11462979
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
4-(5-phenylmethoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11464366
4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11475120
4-[5-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11486814
4-chloro-5,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 82461001
5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
CID 106997879
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 11418987) is 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CC1(C)CC(Nc2ncc(Br)c(-c3ccc(Cl)s3)n2)CC(C)(C)N1.
What is the InChIKey of 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is XNIHYKZXFQUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN4S/c1-16(2)7-10(8-17(3,4)23-16)21-15-20-9-11(18)14(22-15)12-5-6-13(19)24-12/h5-6,9-10,23H,7-8H2,1-4H3,(H,20,21,22).
What are the key properties of 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 429.82 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 11418987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).