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

C14H24N6 — CID 80816973

IUPAC2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6/c1-4-15-11-17-12(16-10-9-14(10,2)3)19-13(18-11)20-7-5-6-8-20/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJUQAPTUIVCZJOH-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.11
Rot. Bonds5

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

2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80816973) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80816973
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6/c1-4-15-11-17-12(16-10-9-14(10,2)3)19-13(18-11)20-7-5-6-8-20/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJUQAPTUIVCZJOH-UHFFFAOYSA-N
XLogP2.11
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-(2,2-dimethylcyclopropyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80794141
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
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-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80797845
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80816973) is 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CC2(C)C)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JUQAPTUIVCZJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-4-15-11-17-12(16-10-9-14(10,2)3)19-13(18-11)20-7-5-6-8-20/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80816973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).