3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C13H25N5O2 — CID 83180143

IUPAC3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(C)CCO)nc(OCCC)n1
InChIInChI=1S/C13H25N5O2/c1-4-7-14-11-16-12(15-10(3)6-8-19)18-13(17-11)20-9-5-2/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGJBKEWDKBMRATN-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds10

About 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 83180143) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID83180143
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(C)CCO)nc(OCCC)n1
InChIInChI=1S/C13H25N5O2/c1-4-7-14-11-16-12(15-10(3)6-8-19)18-13(17-11)20-9-5-2/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGJBKEWDKBMRATN-UHFFFAOYSA-N
XLogP1.67
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791

Frequently Asked Questions

What is the IUPAC name of 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 83180143) is 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCCNc1nc(NC(C)CCO)nc(OCCC)n1.
What is the InChIKey of 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is GJBKEWDKBMRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-7-14-11-16-12(15-10(3)6-8-19)18-13(17-11)20-9-5-2/h10,19H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 83180143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).