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

C10H17ClN4O2 — CID 106350623

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCOc1nc(Cl)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-6(2)7(4-5-16)12-9-13-8(11)14-10(15-9)17-3/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyCCWDCRBXCUJCHS-UHFFFAOYSA-N
MW260.73 g/mol
LogP1.35
Rot. Bonds6

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

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 106350623) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
PubChem CID106350623
Molecular FormulaC10H17ClN4O2
Molecular Weight260.73 g/mol
Exact Mass260.10
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCOc1nc(Cl)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-6(2)7(4-5-16)12-9-13-8(11)14-10(15-9)17-3/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyCCWDCRBXCUJCHS-UHFFFAOYSA-N
XLogP1.35
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 65048061
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62858823
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80923491
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine
CID 65192396
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66138340
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106352573
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (CID 106350623) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is COc1nc(Cl)nc(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is CCWDCRBXCUJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-6(2)7(4-5-16)12-9-13-8(11)14-10(15-9)17-3/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 260.73 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106350623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).