2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 80839849

IUPAC2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(CC)CC2CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-8-14-11-15-12(17-13(16-11)19-3)18(5-2)9-10-6-7-10/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyHPZYRMHJRAMLTG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.94
Rot. Bonds8

About 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80839849) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80839849
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(CC)CC2CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-8-14-11-15-12(17-13(16-11)19-3)18(5-2)9-10-6-7-10/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyHPZYRMHJRAMLTG-UHFFFAOYSA-N
XLogP1.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107403046
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80813901
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
2-N,4-N-diethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799363
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80839849) is 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OC)nc(N(CC)CC2CC2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HPZYRMHJRAMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-8-14-11-15-12(17-13(16-11)19-3)18(5-2)9-10-6-7-10/h10H,4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80839849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).