2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide

C13H23N7O — CID 80794641

IUPAC2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
SMILESCCNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-4-15-10-16-11(19-13(2,3)9(14)21)18-12(17-10)20-7-5-6-8-20/h4-8H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeySBTOBONVEOENCV-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.58
Rot. Bonds6

About 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide

2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide (PubChem CID 80794641) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
PubChem CID80794641
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
SMILESCCNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-4-15-10-16-11(19-13(2,3)9(14)21)18-12(17-10)20-7-5-6-8-20/h4-8H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeySBTOBONVEOENCV-UHFFFAOYSA-N
XLogP0.58
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80819410
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 672103
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
CID 106179049
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-ethyl-2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80906845

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide (CID 80794641) is 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide is CCNc1nc(NC(C)(C)C(N)=O)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide?
The InChIKey is SBTOBONVEOENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-4-15-10-16-11(19-13(2,3)9(14)21)18-12(17-10)20-7-5-6-8-20/h4-8H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19).
What are the key properties of 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide?
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide has a molecular weight of 293.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide is sourced from PubChem (CID 80794641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).