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

C10H18N6O2 — CID 113411167

IUPAC3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(N)nc(NCCC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-6(2)13-7(17)4-5-12-9-14-8(11)15-10(16-9)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyQJCRFUVUFWTFCW-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.21
Rot. Bonds6

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

3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 113411167) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
PubChem CID113411167
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1nc(N)nc(NCCC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-6(2)13-7(17)4-5-12-9-14-8(11)15-10(16-9)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyQJCRFUVUFWTFCW-UHFFFAOYSA-N
XLogP-0.21
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 112695001
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80849425
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoyl chloride
CID 130015511
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide (CID 113411167) is 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide is COc1nc(N)nc(NCCC(=O)NC(C)C)n1.
What is the InChIKey of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is QJCRFUVUFWTFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-6(2)13-7(17)4-5-12-9-14-8(11)15-10(16-9)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H3,11,12,14,15,16).
What are the key properties of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide?
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 254.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113411167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).