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

C11H20ClN5O — CID 106358209

IUPAC3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCCNc1nc(Cl)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H20ClN5O/c1-4-13-10-15-9(12)16-11(17-10)14-8(5-6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyUVHHAVVZXMVRAQ-UHFFFAOYSA-N
MW273.77 g/mol
LogP1.78
Rot. Bonds7

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

3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 106358209) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID106358209
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCCNc1nc(Cl)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H20ClN5O/c1-4-13-10-15-9(12)16-11(17-10)14-8(5-6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyUVHHAVVZXMVRAQ-UHFFFAOYSA-N
XLogP1.78
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
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
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106352573
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352606
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358407

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 106358209) is 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is CCNc1nc(Cl)nc(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is UVHHAVVZXMVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O/c1-4-13-10-15-9(12)16-11(17-10)14-8(5-6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 273.77 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).