(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide

C15H22N4O — CID 131946890

IUPAC(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide
SMILESNc1ncc(/C=C/C(=O)NCCCC2CCCC2)cn1
InChIInChI=1S/C15H22N4O/c16-15-18-10-13(11-19-15)7-8-14(20)17-9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,17,20)(H2,16,18,19)/b8-7+
InChIKeyJTRMYPKKIQKKBE-BQYQJAHWSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds6

About (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide

(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide (PubChem CID 131946890) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide
PubChem CID131946890
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide
SMILESNc1ncc(/C=C/C(=O)NCCCC2CCCC2)cn1
InChIInChI=1S/C15H22N4O/c16-15-18-10-13(11-19-15)7-8-14(20)17-9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,17,20)(H2,16,18,19)/b8-7+
InChIKeyJTRMYPKKIQKKBE-BQYQJAHWSA-N
XLogP2.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 131921982
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
(E)-3-(2-aminopyrimidin-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]prop-2-enamide
CID 131915655
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
(E)-3-(2-aminopyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]prop-2-enamide
CID 131924333
N-(3-cyclohexylpropyl)prop-2-enamide
CID 59687537
(E)-N-[4-(1-acetylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 10236764
N-[4-(1-methylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 54177071
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
(E)-N-[3-[1-[5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]pentyl]piperidin-4-yl]propyl]-3-phenylprop-2-enamide
CID 45481261
5-(aminomethyl)-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106016244

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide (CID 131946890) is (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide is Nc1ncc(/C=C/C(=O)NCCCC2CCCC2)cn1.
What is the InChIKey of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide?
The InChIKey is JTRMYPKKIQKKBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H22N4O/c16-15-18-10-13(11-19-15)7-8-14(20)17-9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,17,20)(H2,16,18,19)/b8-7+.
What are the key properties of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide?
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide has a molecular weight of 274.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide is sourced from PubChem (CID 131946890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).