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

C10H18ClN5O2 — CID 106248811

IUPAC4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
SMILESCCNc1nc(Cl)nc(NCCC(O)COC)n1
InChIInChI=1S/C10H18ClN5O2/c1-3-12-9-14-8(11)15-10(16-9)13-5-4-7(17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyDANWGCPDEGBECD-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.77
Rot. Bonds8

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

4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106248811) has the molecular formula C10H18ClN5O2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
PubChem CID106248811
Molecular FormulaC10H18ClN5O2
Molecular Weight275.74 g/mol
Exact Mass275.11
IUPAC Name4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
SMILESCCNc1nc(Cl)nc(NCCC(O)COC)n1
InChIInChI=1S/C10H18ClN5O2/c1-3-12-9-14-8(11)15-10(16-9)13-5-4-7(17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyDANWGCPDEGBECD-UHFFFAOYSA-N
XLogP0.77
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159595

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol (CID 106248811) is 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol is CCNc1nc(Cl)nc(NCCC(O)COC)n1.
What is the InChIKey of 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is DANWGCPDEGBECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O2/c1-3-12-9-14-8(11)15-10(16-9)13-5-4-7(17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 275.74 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).