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

C9H16ClN5O2 — CID 106248777

IUPAC4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1nc(Cl)nc(NCCC(O)COC)n1
InChIInChI=1S/C9H16ClN5O2/c1-11-8-13-7(10)14-9(15-8)12-4-3-6(16)5-17-2/h6,16H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZCZLYPYDRXHOKV-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.38
Rot. Bonds7

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

4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106248777) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
PubChem CID106248777
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Name4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1nc(Cl)nc(NCCC(O)COC)n1
InChIInChI=1S/C9H16ClN5O2/c1-11-8-13-7(10)14-9(15-8)12-4-3-6(16)5-17-2/h6,16H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZCZLYPYDRXHOKV-UHFFFAOYSA-N
XLogP0.38
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248811
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
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
6-chloro-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824728
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
CID 113490935
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol (CID 106248777) is 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol is CNc1nc(Cl)nc(NCCC(O)COC)n1.
What is the InChIKey of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is ZCZLYPYDRXHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2/c1-11-8-13-7(10)14-9(15-8)12-4-3-6(16)5-17-2/h6,16H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol?
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 261.71 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).