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

C10H16Cl2N4O — CID 106352606

IUPAC3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H16Cl2N4O/c1-10(2,3)6(4-5-17)13-9-15-7(11)14-8(12)16-9/h6,17H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyUKOVMGZDTLAGMU-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.39
Rot. Bonds4

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

3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106352606) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106352606
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H16Cl2N4O/c1-10(2,3)6(4-5-17)13-9-15-7(11)14-8(12)16-9/h6,17H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyUKOVMGZDTLAGMU-UHFFFAOYSA-N
XLogP2.39
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858207
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
3-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114176714
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
CID 106350751
2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358379

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol (CID 106352606) is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is UKOVMGZDTLAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N4O/c1-10(2,3)6(4-5-17)13-9-15-7(11)14-8(12)16-9/h6,17H,4-5H2,1-3H3,(H,13,14,15,16).
What are the key properties of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 279.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106352606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).