3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide

C11H19N5O3 — CID 112695001

IUPAC3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(NCCC(=O)NC(C)C)nc(OC)n1
InChIInChI=1S/C11H19N5O3/c1-7(2)13-8(17)5-6-12-9-14-10(18-3)16-11(15-9)19-4/h7H,5-6H2,1-4H3,(H,13,17)(H,12,14,15,16)
InChIKeyXGVCOEMNNZEGNK-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.22
Rot. Bonds7

About 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 112695001) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
PubChem CID112695001
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(NCCC(=O)NC(C)C)nc(OC)n1
InChIInChI=1S/C11H19N5O3/c1-7(2)13-8(17)5-6-12-9-14-10(18-3)16-11(15-9)19-4/h7H,5-6H2,1-4H3,(H,13,17)(H,12,14,15,16)
InChIKeyXGVCOEMNNZEGNK-UHFFFAOYSA-N
XLogP0.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
3-(methoxyamino)-N-propan-2-ylpropanamide
CID 60970227
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide
CID 110475188
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
tert-butyl N-[3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propyl]carbamate
CID 103702920
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 113247405
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide (CID 112695001) is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide is COc1nc(NCCC(=O)NC(C)C)nc(OC)n1.
What is the InChIKey of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is XGVCOEMNNZEGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-7(2)13-8(17)5-6-12-9-14-10(18-3)16-11(15-9)19-4/h7H,5-6H2,1-4H3,(H,13,17)(H,12,14,15,16).
What are the key properties of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 269.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112695001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).