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

C14H23N5O — CID 121074644

IUPACN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-3-14(20)16-7-6-15-12-10-13(18-11(2)17-12)19-8-4-5-9-19/h10H,3-9H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyLXRBQXOCBKCYKX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds6

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

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (PubChem CID 121074644) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
PubChem CID121074644
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-3-14(20)16-7-6-15-12-10-13(18-11(2)17-12)19-8-4-5-9-19/h10H,3-9H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyLXRBQXOCBKCYKX-UHFFFAOYSA-N
XLogP1.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
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

3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122293952
2-(1,3-benzodioxol-5-yl)-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122293902
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
2,5-dimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]furan-3-carboxamide
CID 122293871
3-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326664
1,3,5-trimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122293924
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326507
1-(2-methylphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326346

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (CID 121074644) is N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is CCC(=O)NCCNc1cc(N2CCCC2)nc(C)n1.
What is the InChIKey of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The InChIKey is LXRBQXOCBKCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-14(20)16-7-6-15-12-10-13(18-11(2)17-12)19-8-4-5-9-19/h10H,3-9H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is sourced from PubChem (CID 121074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).