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

C19H31N5O — CID 122293845

IUPAC3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCc1nc(NCCNC(=O)CCC2CCCC2)cc(N2CCCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-22-17(14-18(23-15)24-12-4-5-13-24)20-10-11-21-19(25)9-8-16-6-2-3-7-16/h14,16H,2-13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyXLUIBUXYGOOGBY-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.88
Rot. Bonds8

About 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide

3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (PubChem CID 122293845) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
PubChem CID122293845
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
SMILESCc1nc(NCCNC(=O)CCC2CCCC2)cc(N2CCCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-22-17(14-18(23-15)24-12-4-5-13-24)20-10-11-21-19(25)9-8-16-6-2-3-7-16/h14,16H,2-13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyXLUIBUXYGOOGBY-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.88
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

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 121072377
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
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 122326277
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122293952
2,5-dimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]furan-3-carboxamide
CID 122293871
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
1,3,5-trimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122293924

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide (CID 122293845) is 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is Cc1nc(NCCNC(=O)CCC2CCCC2)cc(N2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
The InChIKey is XLUIBUXYGOOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-22-17(14-18(23-15)24-12-4-5-13-24)20-10-11-21-19(25)9-8-16-6-2-3-7-16/h14,16H,2-13H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide?
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122293845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).