1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

C11H17ClN4OS — CID 133357961

IUPAC1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4OS/c1-2-18-7-3-4-11(7,17)6-14-9-5-8(12)15-10(13)16-9/h5,7,17H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyNGRCNVLSJNNGAS-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.77
Rot. Bonds5

About 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 133357961) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID133357961
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC Name1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4OS/c1-2-18-7-3-4-11(7,17)6-14-9-5-8(12)15-10(13)16-9/h5,7,17H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyNGRCNVLSJNNGAS-UHFFFAOYSA-N
XLogP1.77
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 133357961) is 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is CCSC1CCC1(O)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is NGRCNVLSJNNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-2-18-7-3-4-11(7,17)6-14-9-5-8(12)15-10(13)16-9/h5,7,17H,2-4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 288.80 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 133357961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).