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

C11H21N5O2 — CID 80849068

IUPAC(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCCCOc1nc(N)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H21N5O2/c1-4-5-18-11-15-9(12)14-10(16-11)13-8(6-17)7(2)3/h7-8,17H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t8-/m1/s1
InChIKeyUSODXUCRVBWUAE-MRVPVSSYSA-N
MW255.32 g/mol
LogP0.67
Rot. Bonds7

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

(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 80849068) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID80849068
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCCCOc1nc(N)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H21N5O2/c1-4-5-18-11-15-9(12)14-10(16-11)13-8(6-17)7(2)3/h7-8,17H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t8-/m1/s1
InChIKeyUSODXUCRVBWUAE-MRVPVSSYSA-N
XLogP0.67
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80849056
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (CID 80849068) is (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is CCCOc1nc(N)nc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is USODXUCRVBWUAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-5-18-11-15-9(12)14-10(16-11)13-8(6-17)7(2)3/h7-8,17H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t8-/m1/s1.
What are the key properties of (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80849068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).