(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C15H26N6O2 — CID 23956699

IUPAC(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESC=CCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C15H26N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h3,11-12,22H,1,4-10H2,2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1
InChIKeyLDUVEWBYENNNDJ-JHJMLUEUSA-N
MW322.41 g/mol
LogP1.24
Rot. Bonds10

About (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23956699) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23956699
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESC=CCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C15H26N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h3,11-12,22H,1,4-10H2,2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1
InChIKeyLDUVEWBYENNNDJ-JHJMLUEUSA-N
XLogP1.24
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23956699) is (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is C=CCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1.
What is the InChIKey of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is LDUVEWBYENNNDJ-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h3,11-12,22H,1,4-10H2,2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1.
What are the key properties of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 1.24, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23956699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).