2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 80769885

IUPAC2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-4-7-17-11-15-9(12)14-10(16-11)13-8(5-2)6-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyTVSAJTSKKNVWOJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.84
Rot. Bonds7

About 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80769885) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80769885
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-4-7-17-11-15-9(12)14-10(16-11)13-8(5-2)6-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyTVSAJTSKKNVWOJ-UHFFFAOYSA-N
XLogP1.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905

Frequently Asked Questions

What is the IUPAC name of 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80769885) is 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC(CC)CC)n1.
What is the InChIKey of 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is TVSAJTSKKNVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-7-17-11-15-9(12)14-10(16-11)13-8(5-2)6-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).