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

C13H24N6O — CID 23872926

IUPAC(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESC=CCNc1nc(NC(C)C)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C13H24N6O/c1-5-7-14-11-17-12(15-9(3)4)19-13(18-11)16-10(6-2)8-20/h5,9-10,20H,1,6-8H2,2-4H3,(H3,14,15,16,17,18,19)/t10-/m1/s1
InChIKeyCDHMGCGMJJEXQZ-SNVBAGLBSA-N
MW280.38 g/mol
LogP1.47
Rot. Bonds9

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

(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23872926) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23872926
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESC=CCNc1nc(NC(C)C)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C13H24N6O/c1-5-7-14-11-17-12(15-9(3)4)19-13(18-11)16-10(6-2)8-20/h5,9-10,20H,1,6-8H2,2-4H3,(H3,14,15,16,17,18,19)/t10-/m1/s1
InChIKeyCDHMGCGMJJEXQZ-SNVBAGLBSA-N
XLogP1.47
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23872926) is (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is C=CCNc1nc(NC(C)C)nc(N[C@H](CC)CO)n1.
What is the InChIKey of (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is CDHMGCGMJJEXQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-7-14-11-17-12(15-9(3)4)19-13(18-11)16-10(6-2)8-20/h5,9-10,20H,1,6-8H2,2-4H3,(H3,14,15,16,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23872926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).