5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine

C9H13BrClN3S — CID 112663144

IUPAC5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
SMILESCSCC(C)N(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C9H13BrClN3S/c1-6(5-15-3)14(2)8-7(10)4-12-9(11)13-8/h4,6H,5H2,1-3H3
InChIKeyPTQXQDPAQIGGJK-UHFFFAOYSA-N
MW310.65 g/mol
LogP3.08
Rot. Bonds4

About 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine

5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine (PubChem CID 112663144) has the molecular formula C9H13BrClN3S and a molecular weight of 310.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
PubChem CID112663144
Molecular FormulaC9H13BrClN3S
Molecular Weight310.65 g/mol
Exact Mass308.97
IUPAC Name5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
SMILESCSCC(C)N(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C9H13BrClN3S/c1-6(5-15-3)14(2)8-7(10)4-12-9(11)13-8/h4,6H,5H2,1-3H3
InChIKeyPTQXQDPAQIGGJK-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112663042
5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 79491057
5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 79470259
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
CID 79076587
5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine
CID 79076175
5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
CID 79076460
N-butan-2-yl-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
CID 79081539
2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
CID 126590832
5-bromo-2-chloro-N-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 79072990
5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 142925662
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine (CID 112663144) is 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine is CSCC(C)N(C)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is PTQXQDPAQIGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3S/c1-6(5-15-3)14(2)8-7(10)4-12-9(11)13-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine?
5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 310.65 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 112663144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).