2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide

C15H25N5O — CID 45497025

IUPAC2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCc1nc(NCCNC(=O)C(C)C)cc(N2CCCC2)n1
InChIInChI=1S/C15H25N5O/c1-11(2)15(21)17-7-6-16-13-10-14(19-12(3)18-13)20-8-4-5-9-20/h10-11H,4-9H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQITQPBUCYGXTIH-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds6

About 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide

2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (PubChem CID 45497025) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
PubChem CID45497025
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCc1nc(NCCNC(=O)C(C)C)cc(N2CCCC2)n1
InChIInChI=1S/C15H25N5O/c1-11(2)15(21)17-7-6-16-13-10-14(19-12(3)18-13)20-8-4-5-9-20/h10-11H,4-9H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQITQPBUCYGXTIH-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (CID 45497025) is 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is Cc1nc(NCCNC(=O)C(C)C)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The InChIKey is QITQPBUCYGXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)15(21)17-7-6-16-13-10-14(19-12(3)18-13)20-8-4-5-9-20/h10-11H,4-9H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is sourced from PubChem (CID 45497025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).