3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol

C14H27N5O2 — CID 80839666

IUPAC3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCNc1nc(NCC(CC)CCO)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-5-11(7-8-20)9-16-13-17-12(15-6-2)18-14(19-13)21-10(3)4/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyOOIZKORCULISDV-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.91
Rot. Bonds10

About 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol

3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 80839666) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
PubChem CID80839666
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCNc1nc(NCC(CC)CCO)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-5-11(7-8-20)9-16-13-17-12(15-6-2)18-14(19-13)21-10(3)4/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyOOIZKORCULISDV-UHFFFAOYSA-N
XLogP1.91
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
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-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (CID 80839666) is 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is CCNc1nc(NCC(CC)CCO)nc(OC(C)C)n1.
What is the InChIKey of 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is OOIZKORCULISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-11(7-8-20)9-16-13-17-12(15-6-2)18-14(19-13)21-10(3)4/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).