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

C13H25N5O — CID 80774045

IUPAC2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(CC)CCC)n1
InChIInChI=1S/C13H25N5O/c1-5-9-18(8-4)12-15-11(14-7-3)16-13(17-12)19-10-6-2/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyKORQRCUPVYAGCD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.33
Rot. Bonds9

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

2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80774045) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80774045
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(CC)CCC)n1
InChIInChI=1S/C13H25N5O/c1-5-9-18(8-4)12-15-11(14-7-3)16-13(17-12)19-10-6-2/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyKORQRCUPVYAGCD-UHFFFAOYSA-N
XLogP2.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80774045) is 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(N(CC)CCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KORQRCUPVYAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-9-18(8-4)12-15-11(14-7-3)16-13(17-12)19-10-6-2/h5-10H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).