4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C8H15N5 — CID 6451759

IUPAC4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(NC(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-9-7-10-5-11-8(13-7)12-6(2)3/h5-6H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyDWWKJVDRGAIXJI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.12
Rot. Bonds4

About 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 6451759) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID6451759
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(NC(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-9-7-10-5-11-8(13-7)12-6(2)3/h5-6H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyDWWKJVDRGAIXJI-UHFFFAOYSA-N
XLogP1.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Atrazine
CID 2256
Propazine
CID 4937
Deethylatrazine
CID 22563
Sebuthylazine
CID 23712
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
6-Methoxy-N2-methyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18212
Amino[4,6-bis(ethylamino)(1,3,5-triazin-2-yl)](methylethyl)carbonitrile
CID 826227
(4-Ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-methyl-cyanamide
CID 910908
2-Amino-6-(isopropylamino)1,3,5-triazine
CID 186839
N-ethyl, N-methyl-atrazine
CID 90806131
Ethyl-(4-ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-cyanamide
CID 649911

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 6451759) is 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1ncnc(NC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DWWKJVDRGAIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-9-7-10-5-11-8(13-7)12-6(2)3/h5-6H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6451759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).