4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C12H22N6 — CID 718717

IUPAC4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-7-5-6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNSCCGNXYUXALPP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.72
Rot. Bonds5

About 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 718717) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID718717
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-7-5-6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNSCCGNXYUXALPP-UHFFFAOYSA-N
XLogP1.72
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 718717) is 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NSCCGNXYUXALPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-7-5-6-8-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 718717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).