5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

C9H12BrN3S — CID 130703562

IUPAC5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1ncc(Br)c(NC2CCSC2)n1
InChIInChI=1S/C9H12BrN3S/c1-6-11-4-8(10)9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyFEDZUSXSHVAPKV-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.46
Rot. Bonds2

About 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 130703562) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID130703562
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1ncc(Br)c(NC2CCSC2)n1
InChIInChI=1S/C9H12BrN3S/c1-6-11-4-8(10)9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyFEDZUSXSHVAPKV-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 72873766
6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 104530611
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
N-(2-bromo-5-methylphenyl)thiolan-3-amine
CID 75525411
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
CID 103062457
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461640
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103065385
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 130703562) is 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is Cc1ncc(Br)c(NC2CCSC2)n1.
What is the InChIKey of 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is FEDZUSXSHVAPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-6-11-4-8(10)9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 274.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 130703562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).