4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine

C8H11Cl2N3S — CID 15567774

IUPAC4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(NC(C)C)nc1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-8-12-6(9)5(14-3)7(10)13-8/h4H,1-3H3,(H,11,12,13)
InChIKeyBZUQJUGXBYUFMU-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.33
Rot. Bonds3

About 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine

4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 15567774) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID15567774
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(NC(C)C)nc1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-8-12-6(9)5(14-3)7(10)13-8/h4H,1-3H3,(H,11,12,13)
InChIKeyBZUQJUGXBYUFMU-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
Iprozilamine
CID 68725
Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
CID 108720
2-Pyrimidinamine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-propyl-
CID 3042446
2-Pyrimidinamine, N-butyl-4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
CID 3042447
6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 13151100
6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 13151104
N-[4-chloro-6-(cyclohexylamino)-5-(methylsulfanyl)-2-pyrimidinyl]-N-methylamine
CID 1475487
N~4~-butyl-6-chloro-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
CID 2765582
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13636863
6-chloro-N-ethyl-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13636865
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043348

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (CID 15567774) is 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is CSc1c(Cl)nc(NC(C)C)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is BZUQJUGXBYUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-4(2)11-8-12-6(9)5(14-3)7(10)13-8/h4H,1-3H3,(H,11,12,13).
What are the key properties of 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 252.17 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 15567774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).