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

C14H27N5O2 — CID 80833370

IUPAC3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NCC(C)CCO)nc(OCCC)n1
InChIInChI=1S/C14H27N5O2/c1-4-7-15-12-17-13(16-10-11(3)6-8-20)19-14(18-12)21-9-5-2/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyOSWKQIIPBNBXSR-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.91
Rot. Bonds11

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

3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 80833370) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID80833370
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NCC(C)CCO)nc(OCCC)n1
InChIInChI=1S/C14H27N5O2/c1-4-7-15-12-17-13(16-10-11(3)6-8-20)19-14(18-12)21-9-5-2/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyOSWKQIIPBNBXSR-UHFFFAOYSA-N
XLogP1.91
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 80833370) is 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCCNc1nc(NCC(C)CCO)nc(OCCC)n1.
What is the InChIKey of 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is OSWKQIIPBNBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-4-7-15-12-17-13(16-10-11(3)6-8-20)19-14(18-12)21-9-5-2/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 1.91, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 80833370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).