5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine

C10H15BrN4S — CID 58177241

IUPAC5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESCSc1ncc(Br)c(N[C@H]2CCCNC2)n1
InChIInChI=1S/C10H15BrN4S/c1-16-10-13-6-8(11)9(15-10)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyXVJOCIKZQMMSRU-ZETCQYMHSA-N
MW303.23 g/mol
LogP2.12
Rot. Bonds3

About 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine

5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 58177241) has the molecular formula C10H15BrN4S and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID58177241
Molecular FormulaC10H15BrN4S
Molecular Weight303.23 g/mol
Exact Mass302.02
IUPAC Name5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESCSc1ncc(Br)c(N[C@H]2CCCNC2)n1
InChIInChI=1S/C10H15BrN4S/c1-16-10-13-6-8(11)9(15-10)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyXVJOCIKZQMMSRU-ZETCQYMHSA-N
XLogP2.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine (CID 58177241) is 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine is CSc1ncc(Br)c(N[C@H]2CCCNC2)n1.
What is the InChIKey of 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is XVJOCIKZQMMSRU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15BrN4S/c1-16-10-13-6-8(11)9(15-10)14-7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 303.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 58177241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).