5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C10H11BrN4S — CID 164637491

IUPAC5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1cnc([C@H](C)Nc2ncncc2Br)s1
InChIInChI=1S/C10H11BrN4S/c1-6-3-13-10(16-6)7(2)15-9-8(11)4-12-5-14-9/h3-5,7H,1-2H3,(H,12,14,15)/t7-/m0/s1
InChIKeyYJUCTHKLVVUCCD-ZETCQYMHSA-N
MW299.20 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 164637491) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID164637491
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1cnc([C@H](C)Nc2ncncc2Br)s1
InChIInChI=1S/C10H11BrN4S/c1-6-3-13-10(16-6)7(2)15-9-8(11)4-12-5-14-9/h3-5,7H,1-2H3,(H,12,14,15)/t7-/m0/s1
InChIKeyYJUCTHKLVVUCCD-ZETCQYMHSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 164637491) is 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Cc1cnc([C@H](C)Nc2ncncc2Br)s1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YJUCTHKLVVUCCD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-6-3-13-10(16-6)7(2)15-9-8(11)4-12-5-14-9/h3-5,7H,1-2H3,(H,12,14,15)/t7-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 299.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 164637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).