2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide

C12H22N6O3 — CID 106178974

IUPAC2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O3/c1-4-5-14-10-16-11(15-6-8(19)9(13)20)18-12(17-10)21-7(2)3/h7-8,19H,4-6H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeyAEPZFQMAHVECNC-UHFFFAOYSA-N
MW298.35 g/mol
LogP-0.26
Rot. Bonds9

About 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide

2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 106178974) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID106178974
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O3/c1-4-5-14-10-16-11(15-6-8(19)9(13)20)18-12(17-10)21-7(2)3/h7-8,19H,4-6H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeyAEPZFQMAHVECNC-UHFFFAOYSA-N
XLogP-0.26
TPSA135.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159645

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 106178974) is 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is CCCNc1nc(NCC(O)C(N)=O)nc(OC(C)C)n1.
What is the InChIKey of 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is AEPZFQMAHVECNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c1-4-5-14-10-16-11(15-6-8(19)9(13)20)18-12(17-10)21-7(2)3/h7-8,19H,4-6H2,1-3H3,(H2,13,20)(H2,14,15,16,17,18).
What are the key properties of 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 298.35 g/mol, XLogP of -0.26, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 106178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).