(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone

C15H25N5O — CID 83220015

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C15H25N5O/c1-5-11-7-6-10(4)20(11)15(21)13-12(19-16)8-17-14(18-13)9(2)3/h8-11,19H,5-7,16H2,1-4H3
InChIKeyIBFNMDFQOQOSON-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.29
Rot. Bonds4

About (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 83220015) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID83220015
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C15H25N5O/c1-5-11-7-6-10(4)20(11)15(21)13-12(19-16)8-17-14(18-13)9(2)3/h8-11,19H,5-7,16H2,1-4H3
InChIKeyIBFNMDFQOQOSON-UHFFFAOYSA-N
XLogP2.29
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 20210654
CID 20210654
CID 125146588
CID 125146588
CID 55043673
CID 55043673
CID 62159608
CID 62159608
CID 62160511
CID 62160511
CID 62161178
CID 62161178
CID 62161532
CID 62161532
CID 62162034
CID 62162034
CID 62171561
CID 62171561
CID 62171737
CID 62171737
CID 62171738
CID 62171738
CID 62179328
CID 62179328

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone (CID 83220015) is (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone is CCC1CCC(C)N1C(=O)c1nc(C(C)C)ncc1NN.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is IBFNMDFQOQOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-11-7-6-10(4)20(11)15(21)13-12(19-16)8-17-14(18-13)9(2)3/h8-11,19H,5-7,16H2,1-4H3.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 83220015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).