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

C14H28N6O — CID 80840011

IUPAC3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCCNc1nc(NCC(CC)CCO)nc(N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-5-8-15-12-17-13(19-14(18-12)20(3)4)16-10-11(6-2)7-9-21/h11,21H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyCMBJMWUASKJRBF-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.58
Rot. Bonds10

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

3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 80840011) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
PubChem CID80840011
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCCNc1nc(NCC(CC)CCO)nc(N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-5-8-15-12-17-13(19-14(18-12)20(3)4)16-10-11(6-2)7-9-21/h11,21H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyCMBJMWUASKJRBF-UHFFFAOYSA-N
XLogP1.58
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 70994622
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CID 71268271
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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (CID 80840011) is 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is CCCNc1nc(NCC(CC)CCO)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is CMBJMWUASKJRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-5-8-15-12-17-13(19-14(18-12)20(3)4)16-10-11(6-2)7-9-21/h11,21H,5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 296.42 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80840011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).