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

C13H23N7O — CID 80776199

IUPAC2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-3-6-15-11-17-12(16-9(2)10(14)21)19-13(18-11)20-7-4-5-8-20/h9H,3-8H2,1-2H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyRNSQBVYWWOMQDI-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.58
Rot. Bonds7

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

2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80776199) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80776199
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-3-6-15-11-17-12(16-9(2)10(14)21)19-13(18-11)20-7-4-5-8-20/h9H,3-8H2,1-2H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyRNSQBVYWWOMQDI-UHFFFAOYSA-N
XLogP0.58
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
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

Analyze 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide with MolForge

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Related Compounds

2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
CID 106179049
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80803085
2-N-(2,2-dimethylcyclopropyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80794141

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 80776199) is 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is CCCNc1nc(NC(C)C(N)=O)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is RNSQBVYWWOMQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-3-6-15-11-17-12(16-9(2)10(14)21)19-13(18-11)20-7-4-5-8-20/h9H,3-8H2,1-2H3,(H2,14,21)(H2,15,16,17,18,19).
What are the key properties of 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 293.38 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80776199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).