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

C13H23N7O — CID 80823542

IUPAC5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1nc(NCC2CCC(=O)N2)nc(N(C)C)n1
InChIInChI=1S/C13H23N7O/c1-4-7-14-11-17-12(19-13(18-11)20(2)3)15-8-9-5-6-10(21)16-9/h9H,4-8H2,1-3H3,(H,16,21)(H2,14,15,17,18,19)
InChIKeyFCDDNJUDQYLKEA-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.45
Rot. Bonds7

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

5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80823542) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80823542
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1nc(NCC2CCC(=O)N2)nc(N(C)C)n1
InChIInChI=1S/C13H23N7O/c1-4-7-14-11-17-12(19-13(18-11)20(2)3)15-8-9-5-6-10(21)16-9/h9H,4-8H2,1-3H3,(H,16,21)(H2,14,15,17,18,19)
InChIKeyFCDDNJUDQYLKEA-UHFFFAOYSA-N
XLogP0.45
TPSA95.07 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 ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N,2-N-dimethyl-4-N-[(3-methylcyclopentyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 107415912
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106138050
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 103065188
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837784
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 80823542) is 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is CCCNc1nc(NCC2CCC(=O)N2)nc(N(C)C)n1.
What is the InChIKey of 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is FCDDNJUDQYLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-4-7-14-11-17-12(19-13(18-11)20(2)3)15-8-9-5-6-10(21)16-9/h9H,4-8H2,1-3H3,(H,16,21)(H2,14,15,17,18,19).
What are the key properties of 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 293.38 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80823542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).