5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine

C14H16BrN5S — CID 154583251

IUPAC5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
SMILESCSc1ncc(Br)c(N(C)C2CN(c3ccccn3)C2)n1
InChIInChI=1S/C14H16BrN5S/c1-19(13-11(15)7-17-14(18-13)21-2)10-8-20(9-10)12-5-3-4-6-16-12/h3-7,10H,8-9H2,1-2H3
InChIKeyUWEUYSIXNQQKBM-UHFFFAOYSA-N
MW366.29 g/mol
LogP2.68
Rot. Bonds4

About 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine

5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine (PubChem CID 154583251) has the molecular formula C14H16BrN5S and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
PubChem CID154583251
Molecular FormulaC14H16BrN5S
Molecular Weight366.29 g/mol
Exact Mass365.03
IUPAC Name5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
SMILESCSc1ncc(Br)c(N(C)C2CN(c3ccccn3)C2)n1
InChIInChI=1S/C14H16BrN5S/c1-19(13-11(15)7-17-14(18-13)21-2)10-8-20(9-10)12-5-3-4-6-16-12/h3-7,10H,8-9H2,1-2H3
InChIKeyUWEUYSIXNQQKBM-UHFFFAOYSA-N
XLogP2.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 154583133
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
CID 146074522
3-(2-methoxyethyl)-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 154583132
5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 142925662
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172893574
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
CID 79076587
6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
CID 175933768
N-methyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzoxazol-2-amine
CID 146078866

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine (CID 154583251) is 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine is CSc1ncc(Br)c(N(C)C2CN(c3ccccn3)C2)n1.
What is the InChIKey of 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine?
The InChIKey is UWEUYSIXNQQKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5S/c1-19(13-11(15)7-17-14(18-13)21-2)10-8-20(9-10)12-5-3-4-6-16-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine has a molecular weight of 366.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 154583251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).