3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide

C14H24N4O2 — CID 107600194

IUPAC3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
SMILESCOc1cc(C)nc(NC(=O)CC(N)CC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9-6-12(20-5)18-13(16-9)17-11(19)7-10(15)8-14(2,3)4/h6,10H,7-8,15H2,1-5H3,(H,16,17,18,19)
InChIKeyXFYNIMTVLSAMJG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds5

About 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide

3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide (PubChem CID 107600194) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
PubChem CID107600194
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
SMILESCOc1cc(C)nc(NC(=O)CC(N)CC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9-6-12(20-5)18-13(16-9)17-11(19)7-10(15)8-14(2,3)4/h6,10H,7-8,15H2,1-5H3,(H,16,17,18,19)
InChIKeyXFYNIMTVLSAMJG-UHFFFAOYSA-N
XLogP1.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
CID 107600110
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
2-(ethylamino)-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylpropanamide
CID 107600141
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide (CID 107600194) is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide is COc1cc(C)nc(NC(=O)CC(N)CC(C)(C)C)n1.
What is the InChIKey of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide?
The InChIKey is XFYNIMTVLSAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-6-12(20-5)18-13(16-9)17-11(19)7-10(15)8-14(2,3)4/h6,10H,7-8,15H2,1-5H3,(H,16,17,18,19).
What are the key properties of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide?
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide has a molecular weight of 280.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide is sourced from PubChem (CID 107600194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).