[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol

C11H17N3O3S — CID 83183846

IUPAC[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C2CCS(=O)(=O)C2)ncc1CO
InChIInChI=1S/C11H17N3O3S/c1-8-9(6-15)5-12-11(13-8)14(2)10-3-4-18(16,17)7-10/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyHQWRTRRJJRKOPN-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.10
Rot. Bonds3

About [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83183846) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83183846
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C2CCS(=O)(=O)C2)ncc1CO
InChIInChI=1S/C11H17N3O3S/c1-8-9(6-15)5-12-11(13-8)14(2)10-3-4-18(16,17)7-10/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyHQWRTRRJJRKOPN-UHFFFAOYSA-N
XLogP-0.10
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol with MolForge

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Related Compounds

[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
CID 83184886
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 63874579
[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304598
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195
2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83184371
5-N-cyclopentyl-3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112941465
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296932
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109298075

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol (CID 83183846) is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol is Cc1nc(N(C)C2CCS(=O)(=O)C2)ncc1CO.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is HQWRTRRJJRKOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-9(6-15)5-12-11(13-8)14(2)10-3-4-18(16,17)7-10/h5,10,15H,3-4,6-7H2,1-2H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol?
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 271.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83183846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).