5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine

C9H14ClN3S — CID 79556217

IUPAC5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSCC(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-2)3-11-9-12-4-8(10)5-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyUIFXJDKOEPNRSX-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine

5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine (PubChem CID 79556217) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
PubChem CID79556217
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSCC(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-2)3-11-9-12-4-8(10)5-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyUIFXJDKOEPNRSX-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115756039
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
CID 79557408
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
CID 102768509
N-(4-chloro-2-methylbutyl)-5-iodopyrimidin-2-amine
CID 116649542
4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
CID 63966802
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine (CID 79556217) is 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine is CSCC(C)CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine?
The InChIKey is UIFXJDKOEPNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7(6-14-2)3-11-9-12-4-8(10)5-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine?
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 79556217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).