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

C12H20N6O2 — CID 80848551

IUPAC3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
SMILESCC(C)Oc1nc(N)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13)16-11(18-12)14-6-5-9(19)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17,18)
InChIKeyWUYWTRZOWWWFLM-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.32
Rot. Bonds7

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

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide (PubChem CID 80848551) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
PubChem CID80848551
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
SMILESCC(C)Oc1nc(N)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13)16-11(18-12)14-6-5-9(19)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17,18)
InChIKeyWUYWTRZOWWWFLM-UHFFFAOYSA-N
XLogP0.32
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide with MolForge

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Related Compounds

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 107415895

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide (CID 80848551) is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide is CC(C)Oc1nc(N)nc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is WUYWTRZOWWWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13)16-11(18-12)14-6-5-9(19)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17,18).
What are the key properties of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide?
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 80848551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).