1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

C19H25N5O — CID 117084974

IUPAC1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCc2ccccc2)nc(NCCCN2CCCC2=O)n1
InChIInChI=1S/C19H25N5O/c1-15-13-17(21-14-16-7-3-2-4-8-16)23-19(22-15)20-10-6-12-24-11-5-9-18(24)25/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H2,20,21,22,23)
InChIKeySQNMAZJFOMQJNQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.82
Rot. Bonds8

About 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117084974) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117084974
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCc2ccccc2)nc(NCCCN2CCCC2=O)n1
InChIInChI=1S/C19H25N5O/c1-15-13-17(21-14-16-7-3-2-4-8-16)23-19(22-15)20-10-6-12-24-11-5-9-18(24)25/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H2,20,21,22,23)
InChIKeySQNMAZJFOMQJNQ-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.82
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-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 117084522
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[5-(benzylamino)-2,4-dinitroanilino]propyl]pyrrolidin-2-one
CID 11304514
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (CID 117084974) is 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is Cc1cc(NCc2ccccc2)nc(NCCCN2CCCC2=O)n1.
What is the InChIKey of 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is SQNMAZJFOMQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-13-17(21-14-16-7-3-2-4-8-16)23-19(22-15)20-10-6-12-24-11-5-9-18(24)25/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117084974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).