4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H19N7S — CID 80783537

IUPAC4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2nccs2)nc(N2CCCC2)n1
InChIInChI=1S/C13H19N7S/c1-2-14-11-17-12(16-9-10-15-5-8-21-10)19-13(18-11)20-6-3-4-7-20/h5,8H,2-4,6-7,9H2,1H3,(H2,14,16,17,18,19)
InChIKeyLYSKGEAFAKGHCK-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.97
Rot. Bonds6

About 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80783537) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80783537
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2nccs2)nc(N2CCCC2)n1
InChIInChI=1S/C13H19N7S/c1-2-14-11-17-12(16-9-10-15-5-8-21-10)19-13(18-11)20-6-3-4-7-20/h5,8H,2-4,6-7,9H2,1H3,(H2,14,16,17,18,19)
InChIKeyLYSKGEAFAKGHCK-UHFFFAOYSA-N
XLogP1.97
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-methyl-6-piperidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783369
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885488
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
4-N-ethyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411797
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80783537) is 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCc2nccs2)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LYSKGEAFAKGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-2-14-11-17-12(16-9-10-15-5-8-21-10)19-13(18-11)20-6-3-4-7-20/h5,8H,2-4,6-7,9H2,1H3,(H2,14,16,17,18,19).
What are the key properties of 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).