2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol

C12H22ClN5O — CID 79246600

IUPAC2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C12H22ClN5O/c1-5-18(6-2)12-16-10(13)15-11(17-12)14-9(7-19)8(3)4/h8-9,19H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyAXXFTRSMZPLZQV-UHFFFAOYSA-N
MW287.80 g/mol
LogP1.80
Rot. Bonds7

About 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol

2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 79246600) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID79246600
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C12H22ClN5O/c1-5-18(6-2)12-16-10(13)15-11(17-12)14-9(7-19)8(3)4/h8-9,19H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyAXXFTRSMZPLZQV-UHFFFAOYSA-N
XLogP1.80
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (CID 79246600) is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is CCN(CC)c1nc(Cl)nc(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is AXXFTRSMZPLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O/c1-5-18(6-2)12-16-10(13)15-11(17-12)14-9(7-19)8(3)4/h8-9,19H,5-7H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 287.80 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79246600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).