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

C12H23N5O — CID 80765182

IUPAC2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)nc(OCCC)n1
InChIInChI=1S/C12H23N5O/c1-5-7-13-10-15-11(14-9(3)4)17-12(16-10)18-8-6-2/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyVJZUMOSYEHDIFN-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.30
Rot. Bonds8

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

2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80765182) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80765182
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)nc(OCCC)n1
InChIInChI=1S/C12H23N5O/c1-5-7-13-10-15-11(14-9(3)4)17-12(16-10)18-8-6-2/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyVJZUMOSYEHDIFN-UHFFFAOYSA-N
XLogP2.30
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 90175544
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887530
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80765182) is 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)C)nc(OCCC)n1.
What is the InChIKey of 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VJZUMOSYEHDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-7-13-10-15-11(14-9(3)4)17-12(16-10)18-8-6-2/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).