3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol

C11H22N6O — CID 80842330

IUPAC3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-5-11(18,6-2)7-13-9-14-8(12)15-10(16-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyPWRBGMUOEKQKID-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.48
Rot. Bonds6

About 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol

3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol (PubChem CID 80842330) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
PubChem CID80842330
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-5-11(18,6-2)7-13-9-14-8(12)15-10(16-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyPWRBGMUOEKQKID-UHFFFAOYSA-N
XLogP0.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257760
4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80852626
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868692
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
CID 80831979
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80786919
3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
CID 65108708
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol (CID 80842330) is 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol?
The InChIKey is PWRBGMUOEKQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-5-11(18,6-2)7-13-9-14-8(12)15-10(16-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol?
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol has a molecular weight of 254.34 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 80842330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).