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

C13H23ClN4O2 — CID 66172881

IUPAC1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCCCOc1nc(Cl)nc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H23ClN4O2/c1-5-6-20-12-17-10(14)16-11(18-12)15-8-13(4,19)7-9(2)3/h9,19H,5-8H2,1-4H3,(H,15,16,17,18)
InChIKeyAFXSXVFPSAVNDW-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.52
Rot. Bonds8

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

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 66172881) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID66172881
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCCCOc1nc(Cl)nc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H23ClN4O2/c1-5-6-20-12-17-10(14)16-11(18-12)15-8-13(4,19)7-9(2)3/h9,19H,5-8H2,1-4H3,(H,15,16,17,18)
InChIKeyAFXSXVFPSAVNDW-UHFFFAOYSA-N
XLogP2.52
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
4-chloro-N-pent-4-yn-2-yl-6-propoxy-1,3,5-triazin-2-amine
CID 106196004
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 66172881) is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol is CCCOc1nc(Cl)nc(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is AFXSXVFPSAVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2/c1-5-6-20-12-17-10(14)16-11(18-12)15-8-13(4,19)7-9(2)3/h9,19H,5-8H2,1-4H3,(H,15,16,17,18).
What are the key properties of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 302.81 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66172881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).