N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide

C11H18N4O3 — CID 121137375

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide
SMILESCOc1nc(CNC(=O)CC(C)C)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)5-9(16)12-6-8-13-10(17-3)15-11(14-8)18-4/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyUUDMDEKEVULYOI-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.55
Rot. Bonds6

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide (PubChem CID 121137375) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide
PubChem CID121137375
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide
SMILESCOc1nc(CNC(=O)CC(C)C)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)5-9(16)12-6-8-13-10(17-3)15-11(14-8)18-4/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyUUDMDEKEVULYOI-UHFFFAOYSA-N
XLogP0.55
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)isobutyramide
CID 121137745
3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137676
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122252814
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122253025
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
2-[4-(Diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide
CID 57296254
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-dicarboxamide
CID 140377572
2-(diethylamino)-N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)acetamide
CID 153777078
N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
CID 163476646
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
CID 163515594
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 16355111
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 34768967

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide (CID 121137375) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide is COc1nc(CNC(=O)CC(C)C)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide?
The InChIKey is UUDMDEKEVULYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2)5-9(16)12-6-8-13-10(17-3)15-11(14-8)18-4/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide has a molecular weight of 254.29 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 121137375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).