2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 80831552

IUPAC2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCNc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-8(2)6-5-7-14-11-15-10(13)16-12(17-11)18-9(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyUBVLTASAFPTSJP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.09
Rot. Bonds7

About 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80831552) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80831552
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCNc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-8(2)6-5-7-14-11-15-10(13)16-12(17-11)18-9(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyUBVLTASAFPTSJP-UHFFFAOYSA-N
XLogP2.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814249
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 106327513
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 106106863

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80831552) is 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)CCCNc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UBVLTASAFPTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8(2)6-5-7-14-11-15-10(13)16-12(17-11)18-9(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).