5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine

C12H19BrN4S — CID 114122167

IUPAC5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCSC1CCCC1Nc1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4S/c1-3-18-10-6-4-5-9(10)16-11-8(13)7-15-12(14-2)17-11/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyYRICPOXUHMIBGN-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.37
Rot. Bonds5

About 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 114122167) has the molecular formula C12H19BrN4S and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID114122167
Molecular FormulaC12H19BrN4S
Molecular Weight331.28 g/mol
Exact Mass330.05
IUPAC Name5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCSC1CCCC1Nc1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4S/c1-3-18-10-6-4-5-9(10)16-11-8(13)7-15-12(14-2)17-11/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyYRICPOXUHMIBGN-UHFFFAOYSA-N
XLogP3.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114122169
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
CID 103880316
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
CID 103804863
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine (CID 114122167) is 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine is CCSC1CCCC1Nc1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is YRICPOXUHMIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4S/c1-3-18-10-6-4-5-9(10)16-11-8(13)7-15-12(14-2)17-11/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 331.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114122167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).