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

C10H20N6O — CID 80849056

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-6(2)7(5-17)12-9-13-8(11)14-10(15-9)16(3)4/h6-7,17H,5H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyQBFUESGGMSADSB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.05
Rot. Bonds5

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 80849056) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID80849056
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-6(2)7(5-17)12-9-13-8(11)14-10(15-9)16(3)4/h6-7,17H,5H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyQBFUESGGMSADSB-UHFFFAOYSA-N
XLogP-0.05
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79246600
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163716
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868692
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
CID 80831979
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (CID 80849056) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is QBFUESGGMSADSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-6(2)7(5-17)12-9-13-8(11)14-10(15-9)16(3)4/h6-7,17H,5H2,1-4H3,(H3,11,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 240.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80849056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).