1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one

C18H25N5O — CID 128999819

IUPAC1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
SMILESCN(Cc1ncccn1)C1CCN(C(=O)CCCn2cccc2)C1
InChIInChI=1S/C18H25N5O/c1-21(15-17-19-8-5-9-20-17)16-7-13-23(14-16)18(24)6-4-12-22-10-2-3-11-22/h2-3,5,8-11,16H,4,6-7,12-15H2,1H3
InChIKeyIAAKVWZSXJMQRM-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.79
Rot. Bonds7

About 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one

1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one (PubChem CID 128999819) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
PubChem CID128999819
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
SMILESCN(Cc1ncccn1)C1CCN(C(=O)CCCn2cccc2)C1
InChIInChI=1S/C18H25N5O/c1-21(15-17-19-8-5-9-20-17)16-7-13-23(14-16)18(24)6-4-12-22-10-2-3-11-22/h2-3,5,8-11,16H,4,6-7,12-15H2,1H3
InChIKeyIAAKVWZSXJMQRM-UHFFFAOYSA-N
XLogP1.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The IUPAC name of 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one (CID 128999819) is 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The canonical SMILES for 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one is CN(Cc1ncccn1)C1CCN(C(=O)CCCn2cccc2)C1.
What is the InChIKey of 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The InChIKey is IAAKVWZSXJMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(15-17-19-8-5-9-20-17)16-7-13-23(14-16)18(24)6-4-12-22-10-2-3-11-22/h2-3,5,8-11,16H,4,6-7,12-15H2,1H3.
What are the key properties of 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one?
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 128999819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).