N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C10H18N4O4S — CID 136975775

IUPACN-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1c(NCC(C)(C)NS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-10(2,14-19(4,16)17)5-11-8-7(18-3)9(15)13-6-12-8/h6,14H,5H2,1-4H3,(H2,11,12,13,15)
InChIKeyXYIDYHKCSFBLNI-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.48
Rot. Bonds6

About N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 136975775) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID136975775
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC NameN-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1c(NCC(C)(C)NS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-10(2,14-19(4,16)17)5-11-8-7(18-3)9(15)13-6-12-8/h6,14H,5H2,1-4H3,(H2,11,12,13,15)
InChIKeyXYIDYHKCSFBLNI-UHFFFAOYSA-N
XLogP-0.48
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
tert-butyl N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136977510
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 136975775) is N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is COc1c(NCC(C)(C)NS(C)(=O)=O)nc[nH]c1=O.
What is the InChIKey of N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is XYIDYHKCSFBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-10(2,14-19(4,16)17)5-11-8-7(18-3)9(15)13-6-12-8/h6,14H,5H2,1-4H3,(H2,11,12,13,15).
What are the key properties of N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 136975775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).