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

C12H22ClN5O — CID 65108754

IUPAC1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC(C)(O)CC)n1
InChIInChI=1S/C12H22ClN5O/c1-5-12(4,19)8-14-10-15-9(13)16-11(17-10)18(6-2)7-3/h19H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyZQRGSBWDPBQAHT-UHFFFAOYSA-N
MW287.80 g/mol
LogP1.94
Rot. Bonds7

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

1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol (PubChem CID 65108754) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
PubChem CID65108754
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC(C)(O)CC)n1
InChIInChI=1S/C12H22ClN5O/c1-5-12(4,19)8-14-10-15-9(13)16-11(17-10)18(6-2)7-3/h19H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyZQRGSBWDPBQAHT-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol (CID 65108754) is 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol is CCN(CC)c1nc(Cl)nc(NCC(C)(O)CC)n1.
What is the InChIKey of 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
The InChIKey is ZQRGSBWDPBQAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O/c1-5-12(4,19)8-14-10-15-9(13)16-11(17-10)18(6-2)7-3/h19H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol?
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol has a molecular weight of 287.80 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).