(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide

C15H20N4O — CID 164638458

IUPAC(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCCc1cn2cccnc2n1
InChIInChI=1S/C15H20N4O/c1-11(2)9-12(3)14(20)16-7-5-13-10-19-8-4-6-17-15(19)18-13/h4,6,8,10,12H,1,5,7,9H2,2-3H3,(H,16,20)/t12-/m0/s1
InChIKeyLHBWCYSPQRQAJA-LBPRGKRZSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds6

About (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide

(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide (PubChem CID 164638458) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide
PubChem CID164638458
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCCc1cn2cccnc2n1
InChIInChI=1S/C15H20N4O/c1-11(2)9-12(3)14(20)16-7-5-13-10-19-8-4-6-17-15(19)18-13/h4,6,8,10,12H,1,5,7,9H2,2-3H3,(H,16,20)/t12-/m0/s1
InChIKeyLHBWCYSPQRQAJA-LBPRGKRZSA-N
XLogP1.99
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide?
The IUPAC name of (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide (CID 164638458) is (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide.
What is the SMILES notation for (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide?
The canonical SMILES for (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide is C=C(C)C[C@H](C)C(=O)NCCc1cn2cccnc2n1.
What is the InChIKey of (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide?
The InChIKey is LHBWCYSPQRQAJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)9-12(3)14(20)16-7-5-13-10-19-8-4-6-17-15(19)18-13/h4,6,8,10,12H,1,5,7,9H2,2-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide?
(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide has a molecular weight of 272.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 164638458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).