2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

C12H20N4O3S — CID 91792203

IUPAC2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C12H20N4O3S/c1-16(2)20(18,19)4-3-13-12-7-11(14-8-15-12)9-5-10(17)6-9/h7-10,17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCROSJNGNPKKTSA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.02
Rot. Bonds6

About 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 91792203) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID91792203
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C12H20N4O3S/c1-16(2)20(18,19)4-3-13-12-7-11(14-8-15-12)9-5-10(17)6-9/h7-10,17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCROSJNGNPKKTSA-UHFFFAOYSA-N
XLogP0.02
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (CID 91792203) is 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is CROSJNGNPKKTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-16(2)20(18,19)4-3-13-12-7-11(14-8-15-12)9-5-10(17)6-9/h7-10,17H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 91792203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).