2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H25N5O — CID 80781052

IUPAC2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C2CC2)nc(OCCC)n1
InChIInChI=1S/C14H25N5O/c1-4-8-15-12-17-13(16-10(3)11-6-7-11)19-14(18-12)20-9-5-2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyLJKMRTSQUQMGBM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.69
Rot. Bonds9

About 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80781052) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80781052
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C2CC2)nc(OCCC)n1
InChIInChI=1S/C14H25N5O/c1-4-8-15-12-17-13(16-10(3)11-6-7-11)19-14(18-12)20-9-5-2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyLJKMRTSQUQMGBM-UHFFFAOYSA-N
XLogP2.69
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
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
6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298768
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62865328
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80781052) is 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)C2CC2)nc(OCCC)n1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LJKMRTSQUQMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-8-15-12-17-13(16-10(3)11-6-7-11)19-14(18-12)20-9-5-2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).