1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one

C15H25N5O — CID 102536413

IUPAC1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCCCNc1ncc(CNCCCN2CCCC2=O)cn1
InChIInChI=1S/C15H25N5O/c1-2-6-17-15-18-11-13(12-19-15)10-16-7-4-9-20-8-3-5-14(20)21/h11-12,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyYIUBBODMWXSUHG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.40
Rot. Bonds9

About 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 102536413) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID102536413
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCCCNc1ncc(CNCCCN2CCCC2=O)cn1
InChIInChI=1S/C15H25N5O/c1-2-6-17-15-18-11-13(12-19-15)10-16-7-4-9-20-8-3-5-14(20)21/h11-12,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyYIUBBODMWXSUHG-UHFFFAOYSA-N
XLogP1.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5-nitropyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
CID 133466869
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 102536401
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 51120135
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one (CID 102536413) is 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one is CCCNc1ncc(CNCCCN2CCCC2=O)cn1.
What is the InChIKey of 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is YIUBBODMWXSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-6-17-15-18-11-13(12-19-15)10-16-7-4-9-20-8-3-5-14(20)21/h11-12,16H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 102536413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).