1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C10H17ClN4OS — CID 133464635

IUPAC1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCNc1c(Cl)ncnc1NCC(C)(O)CSC
InChIInChI=1S/C10H17ClN4OS/c1-10(16,5-17-3)4-13-9-7(12-2)8(11)14-6-15-9/h6,12,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyMHEKLATVEORFMP-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.70
Rot. Bonds6

About 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 133464635) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID133464635
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCNc1c(Cl)ncnc1NCC(C)(O)CSC
InChIInChI=1S/C10H17ClN4OS/c1-10(16,5-17-3)4-13-9-7(12-2)8(11)14-6-15-9/h6,12,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyMHEKLATVEORFMP-UHFFFAOYSA-N
XLogP1.70
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 133464635) is 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is CNc1c(Cl)ncnc1NCC(C)(O)CSC.
What is the InChIKey of 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is MHEKLATVEORFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-10(16,5-17-3)4-13-9-7(12-2)8(11)14-6-15-9/h6,12,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 276.79 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 133464635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).