2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

C17H23Cl2N5O — CID 174242875

IUPAC2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2ccc(Cl)cn2)n1
InChIInChI=1S/C17H23Cl2N5O/c1-10(2)6-13(9-25)21-17-23-15(22-16(19)24-17)7-11(3)14-5-4-12(18)8-20-14/h4-5,8,10-11,13,25H,6-7,9H2,1-3H3,(H,21,22,23,24)
InChIKeyXWOGYKNNJNAQBW-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.74
Rot. Bonds8

About 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 174242875) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID174242875
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC Name2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2ccc(Cl)cn2)n1
InChIInChI=1S/C17H23Cl2N5O/c1-10(2)6-13(9-25)21-17-23-15(22-16(19)24-17)7-11(3)14-5-4-12(18)8-20-14/h4-5,8,10-11,13,25H,6-7,9H2,1-3H3,(H,21,22,23,24)
InChIKeyXWOGYKNNJNAQBW-UHFFFAOYSA-N
XLogP3.74
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.74
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-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 174242875) is 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2ccc(Cl)cn2)n1.
What is the InChIKey of 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is XWOGYKNNJNAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N5O/c1-10(2)6-13(9-25)21-17-23-15(22-16(19)24-17)7-11(3)14-5-4-12(18)8-20-14/h4-5,8,10-11,13,25H,6-7,9H2,1-3H3,(H,21,22,23,24).
What are the key properties of 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 384.31 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 174242875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).